5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine

C15H16ClN3 — CID 62219998

IUPAC5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)C)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H16ClN3/c1-4-9-19-14(17)13(18-15(19)10(2)3)11-5-7-12(16)8-6-11/h1,5-8,10H,9,17H2,2-3H3
InChIKeyGYDUDQUMASORIW-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.54
Rot. Bonds3

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

5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine (PubChem CID 62219998) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
PubChem CID62219998
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)C)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H16ClN3/c1-4-9-19-14(17)13(18-15(19)10(2)3)11-5-7-12(16)8-6-11/h1,5-8,10H,9,17H2,2-3H3
InChIKeyGYDUDQUMASORIW-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine (CID 62219998) is 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C(C)C)nc(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is GYDUDQUMASORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-4-9-19-14(17)13(18-15(19)10(2)3)11-5-7-12(16)8-6-11/h1,5-8,10H,9,17H2,2-3H3.
What are the key properties of 5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine?
5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.54, 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-propan-2-yl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62219998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).