N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine

C16H14BrN3 — CID 106560530

IUPACN-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine
SMILESBrc1ccc(CNc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)12-19-16-18-10-11-20(16)15-4-2-1-3-5-15/h1-11H,12H2,(H,18,19)
InChIKeyPRQABPHFVCBLTM-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.25
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine

N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine (PubChem CID 106560530) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine
PubChem CID106560530
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC NameN-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine
SMILESBrc1ccc(CNc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)12-19-16-18-10-11-20(16)15-4-2-1-3-5-15/h1-11H,12H2,(H,18,19)
InChIKeyPRQABPHFVCBLTM-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
CID 106558616
1-(4-bromophenyl)-N-methylimidazol-2-amine
CID 106558582
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine
CID 106583004
N-[(2,5-difluorophenyl)methyl]-1-phenylimidazol-2-amine
CID 106573221
2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine
CID 106569028
1-N,2-N-dibenzylimidazole-1,2-diamine
CID 174735131
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
CID 106579501
N-(cyclohexylmethyl)-1-phenylimidazol-2-amine
CID 106561651
N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine
CID 106575715
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
N-(1-phenylimidazol-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106555586
N-[(1-methylcyclopentyl)methyl]-1-phenylimidazol-2-amine
CID 106572301

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine (CID 106560530) is N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine is Brc1ccc(CNc2nccn2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine?
The InChIKey is PRQABPHFVCBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)12-19-16-18-10-11-20(16)15-4-2-1-3-5-15/h1-11H,12H2,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine?
N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine has a molecular weight of 328.21 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine is sourced from PubChem (CID 106560530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).