2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol

C13H10N4O3 — CID 81429462

IUPAC2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol
SMILESNc1cc([N+](=O)[O-])ccc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H10N4O3/c14-10-5-7(17(19)20)1-3-9(10)13-15-11-4-2-8(18)6-12(11)16-13/h1-6,18H,14H2,(H,15,16)
InChIKeyUIDYYGJTWKJRQP-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol

2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol (PubChem CID 81429462) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol
PubChem CID81429462
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol
SMILESNc1cc([N+](=O)[O-])ccc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H10N4O3/c14-10-5-7(17(19)20)1-3-9(10)13-15-11-4-2-8(18)6-12(11)16-13/h1-6,18H,14H2,(H,15,16)
InChIKeyUIDYYGJTWKJRQP-UHFFFAOYSA-N
XLogP2.43
TPSA118.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol (CID 81429462) is 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol is Nc1cc([N+](=O)[O-])ccc1-c1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol?
The InChIKey is UIDYYGJTWKJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c14-10-5-7(17(19)20)1-3-9(10)13-15-11-4-2-8(18)6-12(11)16-13/h1-6,18H,14H2,(H,15,16).
What are the key properties of 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol?
2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol has a molecular weight of 270.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81429462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).