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

C16H15N3O — CID 175533007

IUPAC3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C16H15N3O/c1-19(2)16(20)13-5-3-4-11(8-13)12-6-7-14-15(9-12)18-10-17-14/h3-10H,1-2H3,(H,17,18)
InChIKeyFYEVDJNCSFJTJE-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.93
Rot. Bonds2

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

3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide (PubChem CID 175533007) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
PubChem CID175533007
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C16H15N3O/c1-19(2)16(20)13-5-3-4-11(8-13)12-6-7-14-15(9-12)18-10-17-14/h3-10H,1-2H3,(H,17,18)
InChIKeyFYEVDJNCSFJTJE-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

N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825527
3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
CID 168555256
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide (CID 175533007) is 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
The InChIKey is FYEVDJNCSFJTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(2)16(20)13-5-3-4-11(8-13)12-6-7-14-15(9-12)18-10-17-14/h3-10H,1-2H3,(H,17,18).
What are the key properties of 3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
3-(3H-benzimidazol-5-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-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 175533007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).