1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole

C18H17F3N2 — CID 134082335

IUPAC1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESCCCCn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C18H17F3N2/c1-2-3-11-23-16-10-5-4-9-15(16)22-17(23)13-7-6-8-14(12-13)18(19,20)21/h4-10,12H,2-3,11H2,1H3
InChIKeyNIHQBXLYFUFMEP-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.52
Rot. Bonds4

About 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole

1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole (PubChem CID 134082335) has the molecular formula C18H17F3N2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
PubChem CID134082335
Molecular FormulaC18H17F3N2
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESCCCCn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C18H17F3N2/c1-2-3-11-23-16-10-5-4-9-15(16)22-17(23)13-7-6-8-14(12-13)18(19,20)21/h4-10,12H,2-3,11H2,1H3
InChIKeyNIHQBXLYFUFMEP-UHFFFAOYSA-N
XLogP5.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-2-[3-(trifluoromethyl)phenyl]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-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134083798
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole?
The IUPAC name of 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole (CID 134082335) is 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole?
The canonical SMILES for 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole is CCCCn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole?
The InChIKey is NIHQBXLYFUFMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2/c1-2-3-11-23-16-10-5-4-9-15(16)22-17(23)13-7-6-8-14(12-13)18(19,20)21/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole?
1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole has a molecular weight of 318.34 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole is sourced from PubChem (CID 134082335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).