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

C15H16ClN3 — CID 55048312

IUPAC5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C15H16ClN3/c1-3-7-13-18-14(15(17)19(13)10-4-2)11-8-5-6-9-12(11)16/h2,5-6,8-9H,3,7,10,17H2,1H3
InChIKeyRXABIMFLYDRDRY-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.37
Rot. Bonds4

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

5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 55048312) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
PubChem CID55048312
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C15H16ClN3/c1-3-7-13-18-14(15(17)19(13)10-4-2)11-8-5-6-9-12(11)16/h2,5-6,8-9H,3,7,10,17H2,1H3
InChIKeyRXABIMFLYDRDRY-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.37
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-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (CID 55048312) is 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CCC)nc(-c2ccccc2Cl)c1N.
What is the InChIKey of 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is RXABIMFLYDRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-3-7-13-18-14(15(17)19(13)10-4-2)11-8-5-6-9-12(11)16/h2,5-6,8-9H,3,7,10,17H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 55048312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).