5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide

C20H13ClN4O4 — CID 13177429

IUPAC5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H13ClN4O4/c21-12-3-8-18(26)15(9-12)20(27)22-13-4-7-16-17(10-13)24-19(23-16)11-1-5-14(6-2-11)25(28)29/h1-10,26H,(H,22,27)(H,23,24)
InChIKeyDBKKVJPSQWRIAZ-UHFFFAOYSA-N
MW408.80 g/mol
LogP4.75
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide

5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 13177429) has the molecular formula C20H13ClN4O4 and a molecular weight of 408.80 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID13177429
Molecular FormulaC20H13ClN4O4
Molecular Weight408.80 g/mol
Exact Mass408.06
IUPAC Name5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H13ClN4O4/c21-12-3-8-18(26)15(9-12)20(27)22-13-4-7-16-17(10-13)24-19(23-16)11-1-5-14(6-2-11)25(28)29/h1-10,26H,(H,22,27)(H,23,24)
InChIKeyDBKKVJPSQWRIAZ-UHFFFAOYSA-N
XLogP4.75
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.80
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide 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 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide (CID 13177429) is 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is DBKKVJPSQWRIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O4/c21-12-3-8-18(26)15(9-12)20(27)22-13-4-7-16-17(10-13)24-19(23-16)11-1-5-14(6-2-11)25(28)29/h1-10,26H,(H,22,27)(H,23,24).
What are the key properties of 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 408.80 g/mol, XLogP of 4.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 13177429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).