3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol

C22H18Cl2F2N6O — CID 67032721

IUPAC3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol
SMILESOC1CCCC(c2nc(-c3nn[nH]n3)c(-c3ccc(F)c(Cl)c3)n2-c2cccc(Cl)c2F)C1
InChIInChI=1S/C22H18Cl2F2N6O/c23-14-5-2-6-17(18(14)26)32-20(11-7-8-16(25)15(24)10-11)19(21-28-30-31-29-21)27-22(32)12-3-1-4-13(33)9-12/h2,5-8,10,12-13,33H,1,3-4,9H2,(H,28,29,30,31)
InChIKeyNYAOQDPCIWLDLU-UHFFFAOYSA-N
MW491.33 g/mol
LogP5.32
Rot. Bonds4

About 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol

3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol (PubChem CID 67032721) has the molecular formula C22H18Cl2F2N6O and a molecular weight of 491.33 g/mol. Its IUPAC name is 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol
PubChem CID67032721
Molecular FormulaC22H18Cl2F2N6O
Molecular Weight491.33 g/mol
Exact Mass490.09
IUPAC Name3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol
SMILESOC1CCCC(c2nc(-c3nn[nH]n3)c(-c3ccc(F)c(Cl)c3)n2-c2cccc(Cl)c2F)C1
InChIInChI=1S/C22H18Cl2F2N6O/c23-14-5-2-6-17(18(14)26)32-20(11-7-8-16(25)15(24)10-11)19(21-28-30-31-29-21)27-22(32)12-3-1-4-13(33)9-12/h2,5-8,10,12-13,33H,1,3-4,9H2,(H,28,29,30,31)
InChIKeyNYAOQDPCIWLDLU-UHFFFAOYSA-N
XLogP5.32
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.33
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
CID 67032499
N-[2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]-3-pyridinyl]-N-methylacetamide
CID 174651929
N-butyl-2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(2H-tetrazol-5-yl)imidazol-1-yl]phenyl]acetamide
CID 175273399
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
CID 175273459
ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-pyrrolidin-2-ylimidazole-4-carboxylate
CID 67954347
1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide
CID 67031858
2-[4-chloro-2-[5-(3-chloro-4-fluorophenyl)-2-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)imidazol-1-yl]phenyl]acetic acid
CID 67954203
2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chloro-3-fluorophenyl]-N-phenylacetamide
CID 67954180
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-phenylimidazol-4-yl]-4-methyl-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174663372
1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
CID 88531092
5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031816

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol?
The IUPAC name of 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol (CID 67032721) is 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol is OC1CCCC(c2nc(-c3nn[nH]n3)c(-c3ccc(F)c(Cl)c3)n2-c2cccc(Cl)c2F)C1.
What is the InChIKey of 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol?
The InChIKey is NYAOQDPCIWLDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F2N6O/c23-14-5-2-6-17(18(14)26)32-20(11-7-8-16(25)15(24)10-11)19(21-28-30-31-29-21)27-22(32)12-3-1-4-13(33)9-12/h2,5-8,10,12-13,33H,1,3-4,9H2,(H,28,29,30,31).
What are the key properties of 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol?
3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol has a molecular weight of 491.33 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 67032721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).