3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide

C16H15N3O — CID 168555256

IUPAC3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H15N3O/c1-19(2)16(20)12-7-5-6-11(10-12)15-17-13-8-3-4-9-14(13)18-15/h3-10H,1-2H3,(H,17,18)
InChIKeyNELXABYWINKUAB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.93
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide

3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide (PubChem CID 168555256) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
PubChem CID168555256
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H15N3O/c1-19(2)16(20)12-7-5-6-11(10-12)15-17-13-8-3-4-9-14(13)18-15/h3-10H,1-2H3,(H,17,18)
InChIKeyNELXABYWINKUAB-UHFFFAOYSA-N
XLogP2.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 135988800
1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 119063003
(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide
CID 40790879
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide (CID 168555256) is 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide?
The InChIKey is NELXABYWINKUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(2)16(20)12-7-5-6-11(10-12)15-17-13-8-3-4-9-14(13)18-15/h3-10H,1-2H3,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide?
3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 168555256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).