2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide

C16H16N4O — CID 70918719

IUPAC2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
SMILESCNc1cccc(NC(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N4O/c1-17-12-5-4-6-13(9-12)19-16(21)10-20-11-18-14-7-2-3-8-15(14)20/h2-9,11,17H,10H2,1H3,(H,19,21)
InChIKeyRIOINFOTJNEYQV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.72
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide

2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide (PubChem CID 70918719) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
PubChem CID70918719
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
SMILESCNc1cccc(NC(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N4O/c1-17-12-5-4-6-13(9-12)19-16(21)10-20-11-18-14-7-2-3-8-15(14)20/h2-9,11,17H,10H2,1H3,(H,19,21)
InChIKeyRIOINFOTJNEYQV-UHFFFAOYSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
2-(benzimidazol-1-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121090100
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
(2S)-2-[[2-(benzimidazol-1-yl)acetyl]amino]-N-methylbutanediamide
CID 58709539
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8659494
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide (CID 70918719) is 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide is CNc1cccc(NC(=O)Cn2cnc3ccccc32)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide?
The InChIKey is RIOINFOTJNEYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-17-12-5-4-6-13(9-12)19-16(21)10-20-11-18-14-7-2-3-8-15(14)20/h2-9,11,17H,10H2,1H3,(H,19,21).
What are the key properties of 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide is sourced from PubChem (CID 70918719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).