(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol

C19H14F4N6O — CID 155949211

IUPAC(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nccn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N6O/c20-14-5-1-12(2-6-14)17(30)18-24-9-10-28(18)11-16-25-26-27-29(16)15-7-3-13(4-8-15)19(21,22)23/h1-10,17,30H,11H2
InChIKeyBANRUOOEBGOZJO-UHFFFAOYSA-N
MW418.35 g/mol
LogP3.15
Rot. Bonds5

About (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol

(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol (PubChem CID 155949211) has the molecular formula C19H14F4N6O and a molecular weight of 418.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol
PubChem CID155949211
Molecular FormulaC19H14F4N6O
Molecular Weight418.35 g/mol
Exact Mass418.12
IUPAC Name(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nccn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N6O/c20-14-5-1-12(2-6-14)17(30)18-24-9-10-28(18)11-16-25-26-27-29(16)15-7-3-13(4-8-15)19(21,22)23/h1-10,17,30H,11H2
InChIKeyBANRUOOEBGOZJO-UHFFFAOYSA-N
XLogP3.15
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-methyl-1-[4-(trifluoromethyl)phenyl]-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
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1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
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(4aS,7aR)-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 154841833
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol (CID 155949211) is (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol is OC(c1ccc(F)cc1)c1nccn1Cc1nnnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol?
The InChIKey is BANRUOOEBGOZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6O/c20-14-5-1-12(2-6-14)17(30)18-24-9-10-28(18)11-16-25-26-27-29(16)15-7-3-13(4-8-15)19(21,22)23/h1-10,17,30H,11H2.
What are the key properties of (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol?
(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol has a molecular weight of 418.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 155949211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).