5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine

C17H22ClN3 — CID 62221527

IUPAC5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C2CCCC2)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C17H22ClN3/c1-11(2)21-16(19)15(13-9-5-6-10-14(13)18)20-17(21)12-7-3-4-8-12/h5-6,9-12H,3-4,7-8,19H2,1-2H3
InChIKeyKDWLRBDUYGQWSV-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.02
Rot. Bonds3

About 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine

5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine (PubChem CID 62221527) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine
PubChem CID62221527
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C2CCCC2)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C17H22ClN3/c1-11(2)21-16(19)15(13-9-5-6-10-14(13)18)20-17(21)12-7-3-4-8-12/h5-6,9-12H,3-4,7-8,19H2,1-2H3
InChIKeyKDWLRBDUYGQWSV-UHFFFAOYSA-N
XLogP5.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine (CID 62221527) is 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine is CC(C)n1c(C2CCCC2)nc(-c2ccccc2Cl)c1N.
What is the InChIKey of 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is KDWLRBDUYGQWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-11(2)21-16(19)15(13-9-5-6-10-14(13)18)20-17(21)12-7-3-4-8-12/h5-6,9-12H,3-4,7-8,19H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine?
5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 303.84 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-cyclopentyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62221527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).