5-methyl-2-phenyl-1-propylbenzimidazole

C17H18N2 — CID 72721451

IUPAC5-methyl-2-phenyl-1-propylbenzimidazole
SMILESCCCn1c(-c2ccccc2)nc2cc(C)ccc21
InChIInChI=1S/C17H18N2/c1-3-11-19-16-10-9-13(2)12-15(16)18-17(19)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyJMOWENOGADTKOM-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.42
Rot. Bonds3

About 5-methyl-2-phenyl-1-propylbenzimidazole

5-methyl-2-phenyl-1-propylbenzimidazole (PubChem CID 72721451) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1-propylbenzimidazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-1-propylbenzimidazole
PubChem CID72721451
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name5-methyl-2-phenyl-1-propylbenzimidazole
SMILESCCCn1c(-c2ccccc2)nc2cc(C)ccc21
InChIInChI=1S/C17H18N2/c1-3-11-19-16-10-9-13(2)12-15(16)18-17(19)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyJMOWENOGADTKOM-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
1-tert-butyl-5-methyl-2-phenylbenzimidazole
CID 151472435
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
5-methyl-1,2-diphenylbenzimidazole
CID 45104351

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1-propylbenzimidazole?
The IUPAC name of 5-methyl-2-phenyl-1-propylbenzimidazole (CID 72721451) is 5-methyl-2-phenyl-1-propylbenzimidazole.
What is the SMILES notation for 5-methyl-2-phenyl-1-propylbenzimidazole?
The canonical SMILES for 5-methyl-2-phenyl-1-propylbenzimidazole is CCCn1c(-c2ccccc2)nc2cc(C)ccc21.
What is the InChIKey of 5-methyl-2-phenyl-1-propylbenzimidazole?
The InChIKey is JMOWENOGADTKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-11-19-16-10-9-13(2)12-15(16)18-17(19)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 5-methyl-2-phenyl-1-propylbenzimidazole?
5-methyl-2-phenyl-1-propylbenzimidazole has a molecular weight of 250.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1-propylbenzimidazole is sourced from PubChem (CID 72721451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).