Chemical Components in the PDB

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V1T : Summary

Code

V1T

One-letter code

X

Molecule name

1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
OpenEye OEToolkits 1.7.6 1,3-dimethyl-2-oxidanylidene-benzimidazole-5-carboxamide

Formula

C10 H11 N3 O2

Formal charge

0

Molecular weight

205.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccc2c(c1)N(C(=O)N2C)C)N
SMILES CACTVS 3.385 CN1C(=O)N(C)c2cc(ccc12)C(N)=O
SMILES OpenEye OEToolkits 1.7.6 CN1c2ccc(cc2N(C1=O)C)C(=O)N
Canonical SMILES CACTVS 3.385 CN1C(=O)N(C)c2cc(ccc12)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CN1c2ccc(cc2N(C1=O)C)C(=O)N

IUPAC InChI

InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)

IUPAC InChI key

BRBLVCVSNVSPMT-UHFFFAOYSA-N
V1T

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-08-30

Last modified at

2014-09-12

Status

Released

Obsoleted

Not Assigned