N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide

C19H21N3O — CID 71307876

IUPACN,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1
InChIInChI=1S/C19H21N3O/c1-4-21(5-2)19(23)15-9-10-18-17(12-15)20-13-22(18)16-8-6-7-14(3)11-16/h6-13H,4-5H2,1-3H3
InChIKeyZOWUVPIRQTWFNO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.82
Rot. Bonds4

About N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide

N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 71307876) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
PubChem CID71307876
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1
InChIInChI=1S/C19H21N3O/c1-4-21(5-2)19(23)15-9-10-18-17(12-15)20-13-22(18)16-8-6-7-14(3)11-16/h6-13H,4-5H2,1-3H3
InChIKeyZOWUVPIRQTWFNO-UHFFFAOYSA-N
XLogP3.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide (CID 71307876) is N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1.
What is the InChIKey of N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is ZOWUVPIRQTWFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-21(5-2)19(23)15-9-10-18-17(12-15)20-13-22(18)16-8-6-7-14(3)11-16/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 71307876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).