|
Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.
270 : Summary
Code
|
270
|
One-letter code
|
X
|
Molecule name
|
2H-BENZOIMIDAZOL-2-YLAMINE
|
Systematic names
|
|
Formula
|
C7 H7 N3
|
Formal charge
|
0
|
Molecular weight
|
133.151 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
N1=C2C=CC=CC2=NC1N |
SMILES
|
CACTVS |
3.341 |
NC1N=C2C=CC=CC2=N1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1=CC2=NC(N=C2C=C1)N |
Canonical SMILES
|
CACTVS |
3.341 |
NC1N=C2C=CC=CC2=N1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1=CC2=NC(N=C2C=C1)N |
|
IUPAC InChI | InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2 |
IUPAC InChI key | DERVZEOWPBCBHO-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
17 (10 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
1999-07-08
|
Last modified at
|
2020-06-17
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|