5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine

C16H19ClFN3 — CID 114859800

IUPAC5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
SMILESCn1c(C2CCCCC2)nc(-c2ccc(Cl)cc2F)c1N
InChIInChI=1S/C16H19ClFN3/c1-21-15(19)14(12-8-7-11(17)9-13(12)18)20-16(21)10-5-3-2-4-6-10/h7-10H,2-6,19H2,1H3
InChIKeyIMLAJYWBSQPBNX-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.51
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine

5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine (PubChem CID 114859800) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
PubChem CID114859800
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
SMILESCn1c(C2CCCCC2)nc(-c2ccc(Cl)cc2F)c1N
InChIInChI=1S/C16H19ClFN3/c1-21-15(19)14(12-8-7-11(17)9-13(12)18)20-16(21)10-5-3-2-4-6-10/h7-10H,2-6,19H2,1H3
InChIKeyIMLAJYWBSQPBNX-UHFFFAOYSA-N
XLogP4.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 81165822
3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine
CID 114859771
4-(4-bromo-2-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine
CID 63467682
2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine
CID 62223130
5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 62222947
2-cyclohexyl-5-(3,5-dimethylphenyl)-3-methylimidazol-4-amine
CID 63470019
2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine
CID 63668733
5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine
CID 55048692
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
CID 114859682
5-(5-bromo-2-methoxyphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 62220801
2-cyclopentyl-3-methyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 62220799

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine (CID 114859800) is 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine is Cn1c(C2CCCCC2)nc(-c2ccc(Cl)cc2F)c1N.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
The InChIKey is IMLAJYWBSQPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-21-15(19)14(12-8-7-11(17)9-13(12)18)20-16(21)10-5-3-2-4-6-10/h7-10H,2-6,19H2,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine has a molecular weight of 307.80 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine is sourced from PubChem (CID 114859800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).