N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide

C16H15N3O — CID 762095

IUPACN-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(C)cc1
InChIInChI=1S/C16H15N3O/c1-11-3-6-14(7-4-11)19-10-17-15-9-13(18-12(2)20)5-8-16(15)19/h3-10H,1-2H3,(H,18,20)
InChIKeyQBTHFKPSCQLJKV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.29
Rot. Bonds2

About N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide

N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide (PubChem CID 762095) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide
PubChem CID762095
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(C)cc1
InChIInChI=1S/C16H15N3O/c1-11-3-6-14(7-4-11)19-10-17-15-9-13(18-12(2)20)5-8-16(15)19/h3-10H,1-2H3,(H,18,20)
InChIKeyQBTHFKPSCQLJKV-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(N-methylacetamido)benzimidazole
CID 492673
1-(3-Methylphenyl)-1H-benzimidazol-5-amine
CID 1510981
N-(2-methyl-1-phenylbenzimidazol-5-yl)acetamide
CID 739312
1-phenyl-1H-1,3-benzodiazol-5-amine
CID 965312
1-methyl-1H-1,3-benzodiazol-5-amine
CID 315499
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329407
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyrimidin-2-one
CID 5329411
N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
N-[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]acetamide
CID 492676
7,8-Dimethyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10453303

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide (CID 762095) is N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)ncn2-c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide?
The InChIKey is QBTHFKPSCQLJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-3-6-14(7-4-11)19-10-17-15-9-13(18-12(2)20)5-8-16(15)19/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide?
N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide has a molecular weight of 265.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 762095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).