1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide

C18H18ClN3O — CID 15994988

IUPAC1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-3-9-20-18(23)13-7-8-17-16(10-13)21-12(2)22(17)15-6-4-5-14(19)11-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)
InChIKeyFREPNJLFOOUVPD-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.13
Rot. Bonds4

About 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide

1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide (PubChem CID 15994988) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide
PubChem CID15994988
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-3-9-20-18(23)13-7-8-17-16(10-13)21-12(2)22(17)15-6-4-5-14(19)11-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)
InChIKeyFREPNJLFOOUVPD-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide (CID 15994988) is 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide?
The InChIKey is FREPNJLFOOUVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-9-20-18(23)13-7-8-17-16(10-13)21-12(2)22(17)15-6-4-5-14(19)11-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide?
1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methyl-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 15994988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).