N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine

C17H14BrCl2N3 — CID 5144981

IUPACN-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cccc(Br)c1
InChIInChI=1S/C17H14BrCl2N3/c1-23-16(12-5-6-14(19)15(20)8-12)10-22-17(23)21-9-11-3-2-4-13(18)7-11/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyAFUNLYFQWWQSQK-UHFFFAOYSA-N
MW411.13 g/mol
LogP5.77
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine

N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine (PubChem CID 5144981) has the molecular formula C17H14BrCl2N3 and a molecular weight of 411.13 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
PubChem CID5144981
Molecular FormulaC17H14BrCl2N3
Molecular Weight411.13 g/mol
Exact Mass408.97
IUPAC NameN-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cccc(Br)c1
InChIInChI=1S/C17H14BrCl2N3/c1-23-16(12-5-6-14(19)15(20)8-12)10-22-17(23)21-9-11-3-2-4-13(18)7-11/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyAFUNLYFQWWQSQK-UHFFFAOYSA-N
XLogP5.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.13
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine (CID 5144981) is N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine is Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
The InChIKey is AFUNLYFQWWQSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl2N3/c1-23-16(12-5-6-14(19)15(20)8-12)10-22-17(23)21-9-11-3-2-4-13(18)7-11/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine has a molecular weight of 411.13 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 5144981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).