N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide

C16H14ClN3O3 — CID 84579347

IUPACN-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C16H14ClN3O3/c1-22-12-4-3-5-13(23-2)14(12)15(21)18-9-6-7-10-11(8-9)20-16(17)19-10/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeyQJAIWYXWGOVILW-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.49
Rot. Bonds4

About N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide

N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide (PubChem CID 84579347) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
PubChem CID84579347
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C16H14ClN3O3/c1-22-12-4-3-5-13(23-2)14(12)15(21)18-9-6-7-10-11(8-9)20-16(17)19-10/h3-8H,1-2H3,(H,18,21)(H,19,20)
InChIKeyQJAIWYXWGOVILW-UHFFFAOYSA-N
XLogP3.49
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-(2-chloro-3H-benzimidazol-5-yl)-2-methoxyacetamide
CID 84581757
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(3,4-dichlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 4130040
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide (CID 84579347) is N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc2nc(Cl)[nH]c2c1.
What is the InChIKey of N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide?
The InChIKey is QJAIWYXWGOVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-22-12-4-3-5-13(23-2)14(12)15(21)18-9-6-7-10-11(8-9)20-16(17)19-10/h3-8H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide?
N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide has a molecular weight of 331.76 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 84579347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).