N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline

C16H13BrFN3 — CID 43678377

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
SMILESFc1ccc(CNc2cccc(-n3ccnc3)c2)cc1Br
InChIInChI=1S/C16H13BrFN3/c17-15-8-12(4-5-16(15)18)10-20-13-2-1-3-14(9-13)21-7-6-19-11-21/h1-9,11,20H,10H2
InChIKeyIZXFPBZEMJHQHE-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.39
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline

N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline (PubChem CID 43678377) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
PubChem CID43678377
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
SMILESFc1ccc(CNc2cccc(-n3ccnc3)c2)cc1Br
InChIInChI=1S/C16H13BrFN3/c17-15-8-12(4-5-16(15)18)10-20-13-2-1-3-14(9-13)21-7-6-19-11-21/h1-9,11,20H,10H2
InChIKeyIZXFPBZEMJHQHE-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 166178950
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
1-N-[(3-bromo-4-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376523
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline (CID 43678377) is N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline is Fc1ccc(CNc2cccc(-n3ccnc3)c2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline?
The InChIKey is IZXFPBZEMJHQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-15-8-12(4-5-16(15)18)10-20-13-2-1-3-14(9-13)21-7-6-19-11-21/h1-9,11,20H,10H2.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline?
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline has a molecular weight of 346.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline is sourced from PubChem (CID 43678377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).