2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C19H17F2N5O — CID 513486

IUPAC2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c1-13-24-17-4-2-3-5-18(17)26(13)10-19(27,9-25-12-22-11-23-25)15-7-6-14(20)8-16(15)21/h2-8,11-12,27H,9-10H2,1H3
InChIKeyHLLCTGMHRJMCND-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.80
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 513486) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID513486
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c1-13-24-17-4-2-3-5-18(17)26(13)10-19(27,9-25-12-22-11-23-25)15-7-6-14(20)8-16(15)21/h2-8,11-12,27H,9-10H2,1H3
InChIKeyHLLCTGMHRJMCND-UHFFFAOYSA-N
XLogP2.80
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-1-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 6479275
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
CID 11121337
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylselanyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171345060
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
(2S)-2-(2,4-difluorophenyl)-1-(4-ethylidenepiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 145196912
2-(2,4-difluorophenyl)-1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 118730081
2-(2,4-difluorophenyl)-1-(6-methoxybenzotriazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 46702512
4-[3-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-1-bicyclo[1.1.1]pentanyl]phenol
CID 171760001

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 513486) is 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol is Cc1nc2ccccc2n1CC(O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is HLLCTGMHRJMCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c1-13-24-17-4-2-3-5-18(17)26(13)10-19(27,9-25-12-22-11-23-25)15-7-6-14(20)8-16(15)21/h2-8,11-12,27H,9-10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 369.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(2-methylbenzimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 513486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).