5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine

C17H15Cl2N3 — CID 3913785

IUPAC5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2cccc(Cl)c2)cnc1NCc1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3/c1-22-16(12-6-4-7-14(18)9-12)11-21-17(22)20-10-13-5-2-3-8-15(13)19/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyJASSSVCVOFGSGA-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.01
Rot. Bonds4

About 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine

5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 3913785) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
PubChem CID3913785
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2cccc(Cl)c2)cnc1NCc1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3/c1-22-16(12-6-4-7-14(18)9-12)11-21-17(22)20-10-13-5-2-3-8-15(13)19/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyJASSSVCVOFGSGA-UHFFFAOYSA-N
XLogP5.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine (CID 3913785) is 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine is Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccccc1Cl.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is JASSSVCVOFGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c1-22-16(12-6-4-7-14(18)9-12)11-21-17(22)20-10-13-5-2-3-8-15(13)19/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine?
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 332.23 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 3913785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).