1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine

C16H20ClN3O — CID 106557711

IUPAC1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCOc1ccc(Cl)cc1-n1cc(C)nc1NC1CCCC1
InChIInChI=1S/C16H20ClN3O/c1-11-10-20(14-9-12(17)7-8-15(14)21-2)16(18-11)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyNBWZZMAFCJPLCU-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.20
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine

1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106557711) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106557711
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCOc1ccc(Cl)cc1-n1cc(C)nc1NC1CCCC1
InChIInChI=1S/C16H20ClN3O/c1-11-10-20(14-9-12(17)7-8-15(14)21-2)16(18-11)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyNBWZZMAFCJPLCU-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112876038
1-(2-methoxy-5-methylphenyl)-N,4-dimethylimidazol-2-amine
CID 106557791
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine (CID 106557711) is 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine is COc1ccc(Cl)cc1-n1cc(C)nc1NC1CCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is NBWZZMAFCJPLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-10-20(14-9-12(17)7-8-15(14)21-2)16(18-11)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106557711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).