5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine

C17H18ClN3 — CID 62223834

IUPAC5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCC2)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H18ClN3/c1-2-11-21-16(19)15(12-7-9-14(18)10-8-12)20-17(21)13-5-3-4-6-13/h1,7-10,13H,3-6,11,19H2
InChIKeyWEFMMMSBCJWHLC-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.08
Rot. Bonds3

About 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine

5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 62223834) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
PubChem CID62223834
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CCCC2)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H18ClN3/c1-2-11-21-16(19)15(12-7-9-14(18)10-8-12)20-17(21)13-5-3-4-6-13/h1,7-10,13H,3-6,11,19H2
InChIKeyWEFMMMSBCJWHLC-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine
CID 63468570
5-(3-chloro-4-methylphenyl)-2-cyclopropyl-3-prop-2-ynylimidazol-4-amine
CID 106818291
5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 62219998
2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine
CID 62222440
5-cyclohexyl-2-cyclopropyl-3-prop-2-ynylimidazol-4-amine
CID 62218974
2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62218804
5-benzyl-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
CID 62222430
5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 81165822
5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine
CID 114454479
2-cyclopropyl-5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
CID 62220925
2-cyclohexyl-5-(methoxymethyl)-3-prop-2-ynylimidazol-4-amine
CID 112752640
2-cyclopentyl-4-(3,5-dichlorophenyl)imidazole-1,5-diamine
CID 62506110

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine (CID 62223834) is 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C2CCCC2)nc(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is WEFMMMSBCJWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-2-11-21-16(19)15(12-7-9-14(18)10-8-12)20-17(21)13-5-3-4-6-13/h1,7-10,13H,3-6,11,19H2.
What are the key properties of 5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine?
5-(4-chlorophenyl)-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 299.81 g/mol, XLogP of 4.08, 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-cyclopentyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62223834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).