N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide

C19H21N3O — CID 100775922

IUPACN-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C19H21N3O/c1-3-4-5-14-6-9-16(10-7-14)21-19(23)15-8-11-18-17(12-15)20-13-22(18)2/h6-13H,3-5H2,1-2H3,(H,21,23)
InChIKeyOMRNCDKPHIIMHP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.17
Rot. Bonds5

About N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide

N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide (PubChem CID 100775922) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
PubChem CID100775922
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C19H21N3O/c1-3-4-5-14-6-9-16(10-7-14)21-19(23)15-8-11-18-17(12-15)20-13-22(18)2/h6-13H,3-5H2,1-2H3,(H,21,23)
InChIKeyOMRNCDKPHIIMHP-UHFFFAOYSA-N
XLogP4.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
CID 100775917
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide (CID 100775922) is N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide is CCCCc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is OMRNCDKPHIIMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-4-5-14-6-9-16(10-7-14)21-19(23)15-8-11-18-17(12-15)20-13-22(18)2/h6-13H,3-5H2,1-2H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide?
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 100775922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).