5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole

C19H14ClF2N5 — CID 163214830

IUPAC5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole
SMILESFC(F)c1cnc(-c2ccc(Cn3nnc(-c4ccccc4)c3Cl)cc2)[nH]1
InChIInChI=1S/C19H14ClF2N5/c20-17-16(13-4-2-1-3-5-13)25-26-27(17)11-12-6-8-14(9-7-12)19-23-10-15(24-19)18(21)22/h1-10,18H,11H2,(H,23,24)
InChIKeyOOICJVZLDUISFB-UHFFFAOYSA-N
MW385.81 g/mol
LogP4.97
Rot. Bonds5

About 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole

5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole (PubChem CID 163214830) has the molecular formula C19H14ClF2N5 and a molecular weight of 385.81 g/mol. Its IUPAC name is 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole.

Molecular Properties

Compound Name5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole
PubChem CID163214830
Molecular FormulaC19H14ClF2N5
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole
SMILESFC(F)c1cnc(-c2ccc(Cn3nnc(-c4ccccc4)c3Cl)cc2)[nH]1
InChIInChI=1S/C19H14ClF2N5/c20-17-16(13-4-2-1-3-5-13)25-26-27(17)11-12-6-8-14(9-7-12)19-23-10-15(24-19)18(21)22/h1-10,18H,11H2,(H,23,24)
InChIKeyOOICJVZLDUISFB-UHFFFAOYSA-N
XLogP4.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine
CID 163214854
1-benzyl-5-chloro-4-(4-methylphenyl)triazole
CID 72701212
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
(2-phenyl-1H-imidazol-5-yl)methanediol
CID 70125752
3-benzyl-5-(4-fluorophenyl)triazole-4-carbonitrile
CID 11594304
[3-[(4-bromophenyl)methyl]-5-phenyltriazol-4-yl]-(5-bromo-2-pyridinyl)-tetrafluoro-λ6-sulfane
CID 139052132
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine
CID 116877861
1-benzyl-5-(tert-butyldisulfanyl)-4-(4-ethylphenyl)triazole
CID 154630229
3-benzyl-5-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135818451
N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine
CID 84741656

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole?
The IUPAC name of 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole (CID 163214830) is 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole.
What is the SMILES notation for 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole?
The canonical SMILES for 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole is FC(F)c1cnc(-c2ccc(Cn3nnc(-c4ccccc4)c3Cl)cc2)[nH]1.
What is the InChIKey of 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole?
The InChIKey is OOICJVZLDUISFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5/c20-17-16(13-4-2-1-3-5-13)25-26-27(17)11-12-6-8-14(9-7-12)19-23-10-15(24-19)18(21)22/h1-10,18H,11H2,(H,23,24).
What are the key properties of 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole?
5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole has a molecular weight of 385.81 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole is sourced from PubChem (CID 163214830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).