2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole

C17H15F3N2 — CID 46310703

IUPAC2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N2/c1-2-10-22-15-9-8-13(17(18,19)20)11-14(15)21-16(22)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyLQZRGZFVBJWWOI-UHFFFAOYSA-N
MW304.32 g/mol
LogP5.13
Rot. Bonds3

About 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole

2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310703) has the molecular formula C17H15F3N2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
PubChem CID46310703
Molecular FormulaC17H15F3N2
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H15F3N2/c1-2-10-22-15-9-8-13(17(18,19)20)11-14(15)21-16(22)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyLQZRGZFVBJWWOI-UHFFFAOYSA-N
XLogP5.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.32
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310701
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134082335
2-[phenyl(phenylsulfanyl)methyl]-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310697
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134083798
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975
7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine
CID 155548490

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole (CID 46310703) is 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole is CCCn1c(-c2ccccc2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is LQZRGZFVBJWWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2/c1-2-10-22-15-9-8-13(17(18,19)20)11-14(15)21-16(22)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3.
What are the key properties of 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole?
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 304.32 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).