N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine

C15H11BrClN3 — CID 106576639

IUPACN-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine
SMILESClc1ccc(Nc2nccn2-c2ccccc2)cc1Br
InChIInChI=1S/C15H11BrClN3/c16-13-10-11(6-7-14(13)17)19-15-18-8-9-20(15)12-4-2-1-3-5-12/h1-10H,(H,18,19)
InChIKeySEQTVJAXICQGAO-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.03
Rot. Bonds3

About N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine

N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine (PubChem CID 106576639) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine
PubChem CID106576639
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC NameN-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine
SMILESClc1ccc(Nc2nccn2-c2ccccc2)cc1Br
InChIInChI=1S/C15H11BrClN3/c16-13-10-11(6-7-14(13)17)19-15-18-8-9-20(15)12-4-2-1-3-5-12/h1-10H,(H,18,19)
InChIKeySEQTVJAXICQGAO-UHFFFAOYSA-N
XLogP5.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine
CID 107371346
N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
CID 106556318
N-(3-ethoxyphenyl)-1-phenylimidazol-2-amine
CID 106566765
N-(5-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
CID 106560632
1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine
CID 107581423
1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
CID 106576642
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
CID 106555620
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
CID 102824308
N-(2-methylphenyl)-1-phenylimidazol-2-amine
CID 106560579
N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine
CID 106569079

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine (CID 106576639) is N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine is Clc1ccc(Nc2nccn2-c2ccccc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine?
The InChIKey is SEQTVJAXICQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-13-10-11(6-7-14(13)17)19-15-18-8-9-20(15)12-4-2-1-3-5-12/h1-10H,(H,18,19).
What are the key properties of N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine?
N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine has a molecular weight of 348.63 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106576639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).