N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide

C16H15ClN4O — CID 84582445

IUPACN-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3nc(Cl)[nH]c3c2)cc1
InChIInChI=1S/C16H15ClN4O/c1-21(2)12-6-3-10(4-7-12)15(22)18-11-5-8-13-14(9-11)20-16(17)19-13/h3-9H,1-2H3,(H,18,22)(H,19,20)
InChIKeySAQXIPHNHIOXBI-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.53
Rot. Bonds3

About N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide

N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide (PubChem CID 84582445) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
PubChem CID84582445
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3nc(Cl)[nH]c3c2)cc1
InChIInChI=1S/C16H15ClN4O/c1-21(2)12-6-3-10(4-7-12)15(22)18-11-5-8-13-14(9-11)20-16(17)19-13/h3-9H,1-2H3,(H,18,22)(H,19,20)
InChIKeySAQXIPHNHIOXBI-UHFFFAOYSA-N
XLogP3.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
CID 84581968
N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
CID 84579347
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
N-(2-chloro-3H-benzimidazol-5-yl)-2-methoxyacetamide
CID 84581757
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide (CID 84582445) is N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc3nc(Cl)[nH]c3c2)cc1.
What is the InChIKey of N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide?
The InChIKey is SAQXIPHNHIOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-21(2)12-6-3-10(4-7-12)15(22)18-11-5-8-13-14(9-11)20-16(17)19-13/h3-9H,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide?
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide has a molecular weight of 314.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 84582445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).