2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

C18H16BrN3O — CID 99609547

IUPAC2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16BrN3O/c19-16-3-1-2-15(10-16)11-18(23)21-12-14-4-6-17(7-5-14)22-9-8-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyGDTMMQFXDRISON-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.49
Rot. Bonds5

About 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 99609547) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID99609547
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16BrN3O/c19-16-3-1-2-15(10-16)11-18(23)21-12-14-4-6-17(7-5-14)22-9-8-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyGDTMMQFXDRISON-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99940421
2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 112993174
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
CID 154857737
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 99609547) is 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is O=C(Cc1cccc(Br)c1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is GDTMMQFXDRISON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-16-3-1-2-15(10-16)11-18(23)21-12-14-4-6-17(7-5-14)22-9-8-20-13-22/h1-10,13H,11-12H2,(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 370.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 99609547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).