2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole

C15H13F3N2O — CID 46310701

IUPAC2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(-c2ccco2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H13F3N2O/c1-2-7-20-12-6-5-10(15(16,17)18)9-11(12)19-14(20)13-4-3-8-21-13/h3-6,8-9H,2,7H2,1H3
InChIKeyMHXQPGYITBZEIK-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.73
Rot. Bonds3

About 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole

2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310701) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole
PubChem CID46310701
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(-c2ccco2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H13F3N2O/c1-2-7-20-12-6-5-10(15(16,17)18)9-11(12)19-14(20)13-4-3-8-21-13/h3-6,8-9H,2,7H2,1H3
InChIKeyMHXQPGYITBZEIK-UHFFFAOYSA-N
XLogP4.73
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(furan-2-yl)-1-propyl-5-(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

Fuberidazole
CID 19756
AC1903
CID 667146
2-Furan-2-yl-1-methyl-1H-naphtho[2,3-d]imidazole
CID 649492
1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-5-methyl-
CID 5768678
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1H-Benzimidazole, 2-(5-bromo-2-furanyl)-1-methyl-
CID 665033
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 679754
N-(1-prop-2-enylbenzimidazol-2-yl)furan-2-carboxamide
CID 873118
3-(Furan-2-ylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a]benzimidazole
CID 943730
N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 3164520

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole (CID 46310701) is 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole is CCCn1c(-c2ccco2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is MHXQPGYITBZEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-2-7-20-12-6-5-10(15(16,17)18)9-11(12)19-14(20)13-4-3-8-21-13/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole?
2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 294.28 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).