1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole

C17H15F3N2 — CID 16996767

IUPAC1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C17H15F3N2/c18-17(19,20)16-21-14-10-4-5-11-15(14)22(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2
InChIKeyJREAYUUDXOQBDH-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.69
Rot. Bonds4

About 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole

1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 16996767) has the molecular formula C17H15F3N2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
PubChem CID16996767
Molecular FormulaC17H15F3N2
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C17H15F3N2/c18-17(19,20)16-21-14-10-4-5-11-15(14)22(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2
InChIKeyJREAYUUDXOQBDH-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole 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

1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 53063314
methyl-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]borinic acid
CID 70965481
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120885487
1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
CID 82068309
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole (CID 16996767) is 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is JREAYUUDXOQBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2/c18-17(19,20)16-21-14-10-4-5-11-15(14)22(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2.
What are the key properties of 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole?
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 304.31 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 16996767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).