5-(3-chlorophenyl)-3-methylimidazol-4-amine

C10H10ClN3 — CID 53275817

IUPAC5-(3-chlorophenyl)-3-methylimidazol-4-amine
SMILESCn1cnc(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C10H10ClN3/c1-14-6-13-9(10(14)12)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3
InChIKeyFEFLPQMHMSTSLE-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.32
Rot. Bonds1

About 5-(3-chlorophenyl)-3-methylimidazol-4-amine

5-(3-chlorophenyl)-3-methylimidazol-4-amine (PubChem CID 53275817) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-methylimidazol-4-amine
PubChem CID53275817
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name5-(3-chlorophenyl)-3-methylimidazol-4-amine
SMILESCn1cnc(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C10H10ClN3/c1-14-6-13-9(10(14)12)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3
InChIKeyFEFLPQMHMSTSLE-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-methylimidazol-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-3-methylimidazol-4-amine (CID 53275817) is 5-(3-chlorophenyl)-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-3-methylimidazol-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-3-methylimidazol-4-amine is Cn1cnc(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 5-(3-chlorophenyl)-3-methylimidazol-4-amine?
The InChIKey is FEFLPQMHMSTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-14-6-13-9(10(14)12)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-3-methylimidazol-4-amine?
5-(3-chlorophenyl)-3-methylimidazol-4-amine has a molecular weight of 207.66 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-methylimidazol-4-amine is sourced from PubChem (CID 53275817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).