2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole

C18H21F2N5S — CID 32929373

IUPAC2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
SMILESFC(F)n1c(CSc2n[nH]c(CCC3CCCC3)n2)nc2ccccc21
InChIInChI=1S/C18H21F2N5S/c19-17(20)25-14-8-4-3-7-13(14)21-16(25)11-26-18-22-15(23-24-18)10-9-12-5-1-2-6-12/h3-4,7-8,12,17H,1-2,5-6,9-11H2,(H,22,23,24)
InChIKeyKCKMGQQROWWZKI-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.96
Rot. Bonds7

About 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole

2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole (PubChem CID 32929373) has the molecular formula C18H21F2N5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
PubChem CID32929373
Molecular FormulaC18H21F2N5S
Molecular Weight377.46 g/mol
Exact Mass377.15
IUPAC Name2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
SMILESFC(F)n1c(CSc2n[nH]c(CCC3CCCC3)n2)nc2ccccc21
InChIInChI=1S/C18H21F2N5S/c19-17(20)25-14-8-4-3-7-13(14)21-16(25)11-26-18-22-15(23-24-18)10-9-12-5-1-2-6-12/h3-4,7-8,12,17H,1-2,5-6,9-11H2,(H,22,23,24)
InChIKeyKCKMGQQROWWZKI-UHFFFAOYSA-N
XLogP4.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)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

2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 42411301
5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole
CID 24649273
5-(cyclopentylmethyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
CID 24651941
2-benzyl-4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 38876989
1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole
CID 35040384
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-difluorophenyl)ethanone
CID 39023000
3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 32830038
4-benzyl-3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 16625188
2-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 86816919
N-(2-benzylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42410952
N-benzhydryl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46695557
5-(cyclopentylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 24649280

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole?
The IUPAC name of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole (CID 32929373) is 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole.
What is the SMILES notation for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole?
The canonical SMILES for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole is FC(F)n1c(CSc2n[nH]c(CCC3CCCC3)n2)nc2ccccc21.
What is the InChIKey of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole?
The InChIKey is KCKMGQQROWWZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5S/c19-17(20)25-14-8-4-3-7-13(14)21-16(25)11-26-18-22-15(23-24-18)10-9-12-5-1-2-6-12/h3-4,7-8,12,17H,1-2,5-6,9-11H2,(H,22,23,24).
What are the key properties of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole?
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole has a molecular weight of 377.46 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole is sourced from PubChem (CID 32929373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).