5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine

C17H22ClN3 — CID 63468570

IUPAC5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine
SMILESCCn1c(C2CCCCC2)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H22ClN3/c1-2-21-16(19)15(12-8-10-14(18)11-9-12)20-17(21)13-6-4-3-5-7-13/h8-11,13H,2-7,19H2,1H3
InChIKeyKSMKXPTYJDJEIB-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.85
Rot. Bonds3

About 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine

5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine (PubChem CID 63468570) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine
PubChem CID63468570
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine
SMILESCCn1c(C2CCCCC2)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H22ClN3/c1-2-21-16(19)15(12-8-10-14(18)11-9-12)20-17(21)13-6-4-3-5-7-13/h8-11,13H,2-7,19H2,1H3
InChIKeyKSMKXPTYJDJEIB-UHFFFAOYSA-N
XLogP4.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine (CID 63468570) is 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine is CCn1c(C2CCCCC2)nc(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine?
The InChIKey is KSMKXPTYJDJEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-21-16(19)15(12-8-10-14(18)11-9-12)20-17(21)13-6-4-3-5-7-13/h8-11,13H,2-7,19H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine?
5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine has a molecular weight of 303.84 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine is sourced from PubChem (CID 63468570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).