N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide

C15H12ClN3O — CID 106505887

IUPACN-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-9-6-7-10(11(16)8-9)14(20)19-15-17-12-4-2-3-5-13(12)18-15/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyWGCJWIGSQORVBJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.78
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide

N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide (PubChem CID 106505887) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
PubChem CID106505887
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O/c1-9-6-7-10(11(16)8-9)14(20)19-15-17-12-4-2-3-5-13(12)18-15/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyWGCJWIGSQORVBJ-UHFFFAOYSA-N
XLogP3.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
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N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114923550
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 63563955
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
CID 63565379

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide (CID 106505887) is N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide?
The InChIKey is WGCJWIGSQORVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-6-7-10(11(16)8-9)14(20)19-15-17-12-4-2-3-5-13(12)18-15/h2-8H,1H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide?
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide has a molecular weight of 285.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106505887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).