5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine

C17H14BrCl2N3 — CID 5028642

IUPAC5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Br)cc2)cnc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14BrCl2N3/c1-23-16(11-5-7-12(18)8-6-11)10-22-17(23)21-9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyNDATYIUUNLDYEI-UHFFFAOYSA-N
MW411.13 g/mol
LogP5.77
Rot. Bonds4

About 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine

5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 5028642) has the molecular formula C17H14BrCl2N3 and a molecular weight of 411.13 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
PubChem CID5028642
Molecular FormulaC17H14BrCl2N3
Molecular Weight411.13 g/mol
Exact Mass408.97
IUPAC Name5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Br)cc2)cnc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14BrCl2N3/c1-23-16(11-5-7-12(18)8-6-11)10-22-17(23)21-9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyNDATYIUUNLDYEI-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine (CID 5028642) is 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine is Cn1c(-c2ccc(Br)cc2)cnc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is NDATYIUUNLDYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl2N3/c1-23-16(11-5-7-12(18)8-6-11)10-22-17(23)21-9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine?
5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-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 5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 5028642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).