1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide

C18H19N3O — CID 3279711

IUPAC1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1
InChIInChI=1S/C18H19N3O/c1-3-9-19-18(22)14-7-8-17-16(11-14)20-12-21(17)15-6-4-5-13(2)10-15/h4-8,10-12H,3,9H2,1-2H3,(H,19,22)
InChIKeyONSHUPTVISPGRU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.47
Rot. Bonds4

About 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide

1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide (PubChem CID 3279711) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
PubChem CID3279711
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1
InChIInChI=1S/C18H19N3O/c1-3-9-19-18(22)14-7-8-17-16(11-14)20-12-21(17)15-6-4-5-13(2)10-15/h4-8,10-12H,3,9H2,1-2H3,(H,19,22)
InChIKeyONSHUPTVISPGRU-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573
N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 144712535
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 136553580
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
1-[3-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 11340536
[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553899
3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
CID 158587879

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide (CID 3279711) is 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide?
The InChIKey is ONSHUPTVISPGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-9-19-18(22)14-7-8-17-16(11-14)20-12-21(17)15-6-4-5-13(2)10-15/h4-8,10-12H,3,9H2,1-2H3,(H,19,22).
What are the key properties of 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide?
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3279711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).