5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide

C16H15N3O — CID 175533008

IUPAC5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
SMILESCc1cc(-c2ccc3nc[nH]c3c2)cc(C(N)=O)c1C
InChIInChI=1S/C16H15N3O/c1-9-5-12(6-13(10(9)2)16(17)20)11-3-4-14-15(7-11)19-8-18-14/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLEULOJNVBSGLKN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.95
Rot. Bonds2

About 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide

5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide (PubChem CID 175533008) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
PubChem CID175533008
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
SMILESCc1cc(-c2ccc3nc[nH]c3c2)cc(C(N)=O)c1C
InChIInChI=1S/C16H15N3O/c1-9-5-12(6-13(10(9)2)16(17)20)11-3-4-14-15(7-11)19-8-18-14/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLEULOJNVBSGLKN-UHFFFAOYSA-N
XLogP2.95
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
CID 116852016
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide
CID 131746672
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
CID 171064601
4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
CID 175532985
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82500263
6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
CID 141171310
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 82373683
(E)-3-[4-(3H-benzimidazol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enoic acid
CID 59031318

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide (CID 175533008) is 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide is Cc1cc(-c2ccc3nc[nH]c3c2)cc(C(N)=O)c1C.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide?
The InChIKey is LEULOJNVBSGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-9-5-12(6-13(10(9)2)16(17)20)11-3-4-14-15(7-11)19-8-18-14/h3-8H,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide?
5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 175533008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).