5-(2-chlorophenyl)-3-propylimidazol-4-amine

C12H14ClN3 — CID 62017724

IUPAC5-(2-chlorophenyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(-c2ccccc2Cl)c1N
InChIInChI=1S/C12H14ClN3/c1-2-7-16-8-15-11(12(16)14)9-5-3-4-6-10(9)13/h3-6,8H,2,7,14H2,1H3
InChIKeyVNYICOQMIHVJQZ-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.20
Rot. Bonds3

About 5-(2-chlorophenyl)-3-propylimidazol-4-amine

5-(2-chlorophenyl)-3-propylimidazol-4-amine (PubChem CID 62017724) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-propylimidazol-4-amine
PubChem CID62017724
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-(2-chlorophenyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(-c2ccccc2Cl)c1N
InChIInChI=1S/C12H14ClN3/c1-2-7-16-8-15-11(12(16)14)9-5-3-4-6-10(9)13/h3-6,8H,2,7,14H2,1H3
InChIKeyVNYICOQMIHVJQZ-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-propylimidazol-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-3-propylimidazol-4-amine (CID 62017724) is 5-(2-chlorophenyl)-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-3-propylimidazol-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-3-propylimidazol-4-amine is CCCn1cnc(-c2ccccc2Cl)c1N.
What is the InChIKey of 5-(2-chlorophenyl)-3-propylimidazol-4-amine?
The InChIKey is VNYICOQMIHVJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-7-16-8-15-11(12(16)14)9-5-3-4-6-10(9)13/h3-6,8H,2,7,14H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-propylimidazol-4-amine?
5-(2-chlorophenyl)-3-propylimidazol-4-amine has a molecular weight of 235.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-propylimidazol-4-amine is sourced from PubChem (CID 62017724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).