4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide

C15H11ClN4O3 — CID 5175893

IUPAC4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
SMILESCn1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21
InChIInChI=1S/C15H11ClN4O3/c1-19-12-5-3-2-4-11(12)17-15(19)18-14(21)9-6-7-10(16)13(8-9)20(22)23/h2-8H,1H3,(H,17,18,21)
InChIKeyIXNWFXCNGYYMKC-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.39
Rot. Bonds3

About 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide

4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide (PubChem CID 5175893) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
PubChem CID5175893
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
SMILESCn1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21
InChIInChI=1S/C15H11ClN4O3/c1-19-12-5-3-2-4-11(12)17-15(19)18-14(21)9-6-7-10(16)13(8-9)20(22)23/h2-8H,1H3,(H,17,18,21)
InChIKeyIXNWFXCNGYYMKC-UHFFFAOYSA-N
XLogP3.39
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-chloro-N-(1-methylbenzimidazol-2-yl)-3,5-dinitrobenzamide
CID 4226202
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
1-methyl-N-(1-methylbenzimidazol-2-yl)-4-nitropyrazole-5-carboxamide
CID 19580199
N-(1-methylbenzimidazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 831829
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-chloro-3-nitrobenzamide
CID 22781658
4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide (CID 5175893) is 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide is Cn1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide?
The InChIKey is IXNWFXCNGYYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c1-19-12-5-3-2-4-11(12)17-15(19)18-14(21)9-6-7-10(16)13(8-9)20(22)23/h2-8H,1H3,(H,17,18,21).
What are the key properties of 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide?
4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide has a molecular weight of 330.73 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 5175893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).