1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide

C19H21N3O — CID 3662061

IUPAC1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(C)cc(C)c1
InChIInChI=1S/C19H21N3O/c1-4-7-20-19(23)15-5-6-18-17(11-15)21-12-22(18)16-9-13(2)8-14(3)10-16/h5-6,8-12H,4,7H2,1-3H3,(H,20,23)
InChIKeyFBGOIENYQXWAMU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.78
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide

1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide (PubChem CID 3662061) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
PubChem CID3662061
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(C)cc(C)c1
InChIInChI=1S/C19H21N3O/c1-4-7-20-19(23)15-5-6-18-17(11-15)21-12-22(18)16-9-13(2)8-14(3)10-16/h5-6,8-12H,4,7H2,1-3H3,(H,20,23)
InChIKeyFBGOIENYQXWAMU-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide
CID 92695155
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
CID 4087961
2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone
CID 4193459
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide (CID 3662061) is 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)ncn2-c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide?
The InChIKey is FBGOIENYQXWAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-7-20-19(23)15-5-6-18-17(11-15)21-12-22(18)16-9-13(2)8-14(3)10-16/h5-6,8-12H,4,7H2,1-3H3,(H,20,23).
What are the key properties of 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide?
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3662061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).