5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine

C14H16ClN3 — CID 62219920

IUPAC5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(CC)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H16ClN3/c1-3-9-18-12(4-2)17-13(14(18)16)10-5-7-11(15)8-6-10/h3,5-8H,1,4,9,16H2,2H3
InChIKeyVGKBIEAAONSSDH-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.53
Rot. Bonds4

About 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine

5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine (PubChem CID 62219920) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
PubChem CID62219920
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(CC)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H16ClN3/c1-3-9-18-12(4-2)17-13(14(18)16)10-5-7-11(15)8-6-10/h3,5-8H,1,4,9,16H2,2H3
InChIKeyVGKBIEAAONSSDH-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine (CID 62219920) is 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(CC)nc(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is VGKBIEAAONSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-3-9-18-12(4-2)17-13(14(18)16)10-5-7-11(15)8-6-10/h3,5-8H,1,4,9,16H2,2H3.
What are the key properties of 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine?
5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62219920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).