5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole

C22H18Cl2F2N6 — CID 67032499

IUPAC5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
SMILESFc1ccc(-c2c(-c3nn[nH]n3)nc(C3CCCCC3)n2-c2cccc(Cl)c2F)cc1Cl
InChIInChI=1S/C22H18Cl2F2N6/c23-14-7-4-8-17(18(14)26)32-20(13-9-10-16(25)15(24)11-13)19(21-28-30-31-29-21)27-22(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,28,29,30,31)
InChIKeyAPOKXFGOAIBPAE-UHFFFAOYSA-N
MW475.33 g/mol
LogP6.35
Rot. Bonds4

About 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole

5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole (PubChem CID 67032499) has the molecular formula C22H18Cl2F2N6 and a molecular weight of 475.33 g/mol. Its IUPAC name is 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
PubChem CID67032499
Molecular FormulaC22H18Cl2F2N6
Molecular Weight475.33 g/mol
Exact Mass474.09
IUPAC Name5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
SMILESFc1ccc(-c2c(-c3nn[nH]n3)nc(C3CCCCC3)n2-c2cccc(Cl)c2F)cc1Cl
InChIInChI=1S/C22H18Cl2F2N6/c23-14-7-4-8-17(18(14)26)32-20(13-9-10-16(25)15(24)11-13)19(21-28-30-31-29-21)27-22(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,28,29,30,31)
InChIKeyAPOKXFGOAIBPAE-UHFFFAOYSA-N
XLogP6.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.33
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol
CID 67032721
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
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
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
CID 175273459
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
ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-pyrrolidin-2-ylimidazole-4-carboxylate
CID 67954347
5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031816
1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
CID 88531092
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67954434
5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 81165822
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
2-[2-[4-(5-amino-1,3,4-oxadiazol-2-yl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-1-yl]-4-chlorophenyl]-3,3-dimethylbutanamide
CID 142789828

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole (CID 67032499) is 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole is Fc1ccc(-c2c(-c3nn[nH]n3)nc(C3CCCCC3)n2-c2cccc(Cl)c2F)cc1Cl.
What is the InChIKey of 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole?
The InChIKey is APOKXFGOAIBPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F2N6/c23-14-7-4-8-17(18(14)26)32-20(13-9-10-16(25)15(24)11-13)19(21-28-30-31-29-21)27-22(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,28,29,30,31).
What are the key properties of 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole?
5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole has a molecular weight of 475.33 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 67032499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).