1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole

C18H20N2O — CID 143683886

IUPAC1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole
SMILESCCCc1nc2cc(C)ccc2n1-c1cccc(OC)c1
InChIInChI=1S/C18H20N2O/c1-4-6-18-19-16-11-13(2)9-10-17(16)20(18)14-7-5-8-15(12-14)21-3/h5,7-12H,4,6H2,1-3H3
InChIKeyKMOIDEZDOBJCGX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.30
Rot. Bonds4

About 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole

1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole (PubChem CID 143683886) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole
PubChem CID143683886
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole
SMILESCCCc1nc2cc(C)ccc2n1-c1cccc(OC)c1
InChIInChI=1S/C18H20N2O/c1-4-6-18-19-16-11-13(2)9-10-17(16)20(18)14-7-5-8-15(12-14)21-3/h5,7-12H,4,6H2,1-3H3
InChIKeyKMOIDEZDOBJCGX-UHFFFAOYSA-N
XLogP4.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole
CID 43666954
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
3-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]benzonitrile
CID 43660574
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-2-propylbenzimidazole
CID 58898406
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole (CID 143683886) is 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole is CCCc1nc2cc(C)ccc2n1-c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole?
The InChIKey is KMOIDEZDOBJCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-6-18-19-16-11-13(2)9-10-17(16)20(18)14-7-5-8-15(12-14)21-3/h5,7-12H,4,6H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole?
1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole is sourced from PubChem (CID 143683886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).