1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole

C19H17F2N5S — CID 51929269

IUPAC1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
SMILESCc1ccccc1-n1cnnc1S[C@H](C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H17F2N5S/c1-12-7-3-5-9-15(12)25-11-22-24-19(25)27-13(2)17-23-14-8-4-6-10-16(14)26(17)18(20)21/h3-11,13,18H,1-2H3/t13-/m1/s1
InChIKeyGMWRNILJFXGLOY-CYBMUJFWSA-N
MW385.44 g/mol
LogP5.17
Rot. Bonds5

About 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole

1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole (PubChem CID 51929269) has the molecular formula C19H17F2N5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
PubChem CID51929269
Molecular FormulaC19H17F2N5S
Molecular Weight385.44 g/mol
Exact Mass385.12
IUPAC Name1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
SMILESCc1ccccc1-n1cnnc1S[C@H](C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H17F2N5S/c1-12-7-3-5-9-15(12)25-11-22-24-19(25)27-13(2)17-23-14-8-4-6-10-16(14)26(17)18(20)21/h3-11,13,18H,1-2H3/t13-/m1/s1
InChIKeyGMWRNILJFXGLOY-CYBMUJFWSA-N
XLogP5.17
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]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-(difluoromethyl)-2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
CID 17438456
1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole
CID 46601697
2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylsulfanyl]-1,3-benzothiazole
CID 46558362
3-tert-butyl-5-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 95304857
2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
CID 71917032
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
(2R)-1-(4-methoxyphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7263029
(2S)-1-(4-tert-butylphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7263007
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
CID 112810866
3-hydroxy-2-(1-methylbenzimidazol-2-yl)-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile
CID 137103733
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole (CID 51929269) is 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole is Cc1ccccc1-n1cnnc1S[C@H](C)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The InChIKey is GMWRNILJFXGLOY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17F2N5S/c1-12-7-3-5-9-15(12)25-11-22-24-19(25)27-13(2)17-23-14-8-4-6-10-16(14)26(17)18(20)21/h3-11,13,18H,1-2H3/t13-/m1/s1.
What are the key properties of 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole has a molecular weight of 385.44 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole is sourced from PubChem (CID 51929269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).