cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol

C17H20Cl2N2O — CID 11522934

IUPACcyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H20Cl2N2O/c1-21-10-9-20-16(21)17(22,12-5-3-2-4-6-12)13-7-8-14(18)15(19)11-13/h7-12,22H,2-6H2,1H3
InChIKeyCIFAYZVVXIYGID-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.54
Rot. Bonds3

About cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol

cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol (PubChem CID 11522934) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol
PubChem CID11522934
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Namecyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H20Cl2N2O/c1-21-10-9-20-16(21)17(22,12-5-3-2-4-6-12)13-7-8-14(18)15(19)11-13/h7-12,22H,2-6H2,1H3
InChIKeyCIFAYZVVXIYGID-UHFFFAOYSA-N
XLogP4.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol (CID 11522934) is cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)(c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is CIFAYZVVXIYGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-21-10-9-20-16(21)17(22,12-5-3-2-4-6-12)13-7-8-14(18)15(19)11-13/h7-12,22H,2-6H2,1H3.
What are the key properties of cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol?
cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 339.27 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 11522934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).