5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine

C14H13Cl2N3 — CID 62219042

IUPAC5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CC)nc(-c2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C14H13Cl2N3/c1-3-5-19-12(4-2)18-13(14(19)17)9-6-10(15)8-11(16)7-9/h1,6-8H,4-5,17H2,2H3
InChIKeyPQZVLEIEGFMINE-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.63
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine

5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 62219042) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
PubChem CID62219042
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CC)nc(-c2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C14H13Cl2N3/c1-3-5-19-12(4-2)18-13(14(19)17)9-6-10(15)8-11(16)7-9/h1,6-8H,4-5,17H2,2H3
InChIKeyPQZVLEIEGFMINE-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.63
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-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine (CID 62219042) is 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CC)nc(-c2cc(Cl)cc(Cl)c2)c1N.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is PQZVLEIEGFMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-3-5-19-12(4-2)18-13(14(19)17)9-6-10(15)8-11(16)7-9/h1,6-8H,4-5,17H2,2H3.
What are the key properties of 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine?
5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 294.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62219042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).