1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine

C16H20ClN3O — CID 107623823

IUPAC1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
SMILESCOc1cc(-n2ccnc2NC2CCCCC2)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-21-15-11-13(7-8-14(15)17)20-10-9-18-16(20)19-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,19)
InChIKeyTURLWWQVOVTSGG-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine

1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine (PubChem CID 107623823) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
PubChem CID107623823
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
SMILESCOc1cc(-n2ccnc2NC2CCCCC2)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-21-15-11-13(7-8-14(15)17)20-10-9-18-16(20)19-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,19)
InChIKeyTURLWWQVOVTSGG-UHFFFAOYSA-N
XLogP4.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(4-methoxy-3-methylphenyl)imidazol-2-amine
CID 106564117
1-(2-chloro-5-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 106564006
N-cyclopentyl-1-(3,4-dimethylphenyl)imidazol-2-amine
CID 106560237
1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
CID 106576642
N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230
N-cycloheptyl-1-phenylimidazol-2-amine
CID 106561276
N-cyclopentyl-1-(3-methylphenyl)imidazol-2-amine
CID 106560185
1-(2-chlorophenyl)-N-cyclohexylimidazol-2-amine
CID 106558771
N-cyclopentyl-1-(3-ethoxyphenyl)imidazol-2-amine
CID 106566737
1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
CID 106581538
N-cyclopentyl-1-(3-iodophenyl)imidazol-2-amine
CID 106554214
1-(3-chloro-2-methylphenyl)-N-cyclohexylimidazol-2-amine
CID 106556315

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine (CID 107623823) is 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine is COc1cc(-n2ccnc2NC2CCCCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine?
The InChIKey is TURLWWQVOVTSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-21-15-11-13(7-8-14(15)17)20-10-9-18-16(20)19-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,19).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine?
1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine is sourced from PubChem (CID 107623823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).