N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide

C17H17N3O — CID 949472

IUPACN-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1C
InChIInChI=1S/C17H17N3O/c1-3-17(21)19-13-8-9-16-14(10-13)18-11-20(16)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyYLGYFAVEOJDSHG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.68
Rot. Bonds3

About N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide

N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide (PubChem CID 949472) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide
PubChem CID949472
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1C
InChIInChI=1S/C17H17N3O/c1-3-17(21)19-13-8-9-16-14(10-13)18-11-20(16)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyYLGYFAVEOJDSHG-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dovitinib
CID 135398510
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
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(N-methylacetamido)benzimidazole
CID 492673
N-{2-[isopropyl(methyl)amino]-1H-benzimidazol-6-yl}-3-[4-(trifluoromethyl)phenyl]propanamide
CID 10024171
N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
4-Amino-7-fluoro-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 11682611
(S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-5-yl)imidazolidin-2-one
CID 18342784
2-Butenamide, 4-(dimethylamino)-N-[7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl]-N-methyl-, (2E)-
CID 57394653
4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 135674133

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide?
The IUPAC name of N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide (CID 949472) is N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide.
What is the SMILES notation for N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide?
The canonical SMILES for N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide?
The InChIKey is YLGYFAVEOJDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-17(21)19-13-8-9-16-14(10-13)18-11-20(16)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide?
N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide is sourced from PubChem (CID 949472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).