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

C20H13ClN4O3 — CID 69347834

IUPAC2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C20H13ClN4O3/c21-16-7-2-1-6-15(16)20(26)22-13-8-9-17-18(11-13)24-19(23-17)12-4-3-5-14(10-12)25(27)28/h1-11H,(H,22,26)(H,23,24)
InChIKeyLDNIMZUCXHHCPD-UHFFFAOYSA-N
MW392.80 g/mol
LogP5.04
Rot. Bonds4

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

2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 69347834) has the molecular formula C20H13ClN4O3 and a molecular weight of 392.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID69347834
Molecular FormulaC20H13ClN4O3
Molecular Weight392.80 g/mol
Exact Mass392.07
IUPAC Name2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C20H13ClN4O3/c21-16-7-2-1-6-15(16)20(26)22-13-8-9-17-18(11-13)24-19(23-17)12-4-3-5-14(10-12)25(27)28/h1-11H,(H,22,26)(H,23,24)
InChIKeyLDNIMZUCXHHCPD-UHFFFAOYSA-N
XLogP5.04
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.80
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-N-[4-[5-[2-[4-[(2-nitrobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135928290
4-nitro-N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]benzamide
CID 3113823
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
CID 14183090
N-(2-cyanoethyl)-2-(3-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 67743452
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55901767
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
CID 20694978
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
2-(2-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110527094
S-(6-nitro-1H-benzimidazol-2-yl) 2-chlorobenzenecarbothioate
CID 5105997
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide (CID 69347834) is 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is LDNIMZUCXHHCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3/c21-16-7-2-1-6-15(16)20(26)22-13-8-9-17-18(11-13)24-19(23-17)12-4-3-5-14(10-12)25(27)28/h1-11H,(H,22,26)(H,23,24).
What are the key properties of 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide?
2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 392.80 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 69347834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).