4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide

C18H19N3O — CID 780681

IUPAC4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H19N3O/c1-3-12-21-16-7-5-4-6-15(16)19-18(21)20-17(22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20,22)
InChIKeyUTILZSJXYALFBQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.01
Rot. Bonds4

About 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide

4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 780681) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID780681
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H19N3O/c1-3-12-21-16-7-5-4-6-15(16)19-18(21)20-17(22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20,22)
InChIKeyUTILZSJXYALFBQ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide (CID 780681) is 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is UTILZSJXYALFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-12-21-16-7-5-4-6-15(16)19-18(21)20-17(22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20,22).
What are the key properties of 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide?
4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 780681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).