2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

C19H18BrN3O — CID 46512994

IUPAC2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCn1ccnc1C(NC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H18BrN3O/c1-23-12-11-21-19(23)18(15-5-3-2-4-6-15)22-17(24)13-14-7-9-16(20)10-8-14/h2-12,18H,13H2,1H3,(H,22,24)
InChIKeyDCLSNLIHJQUTRL-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 46512994) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID46512994
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCn1ccnc1C(NC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H18BrN3O/c1-23-12-11-21-19(23)18(15-5-3-2-4-6-15)22-17(24)13-14-7-9-16(20)10-8-14/h2-12,18H,13H2,1H3,(H,22,24)
InChIKeyDCLSNLIHJQUTRL-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
(2S)-2-(4-bromophenoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25372368
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325158
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
1-[2-(4-bromophenyl)sulfanylethyl]-3-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 25356312
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 46512994) is 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is Cn1ccnc1C(NC(=O)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is DCLSNLIHJQUTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-23-12-11-21-19(23)18(15-5-3-2-4-6-15)22-17(24)13-14-7-9-16(20)10-8-14/h2-12,18H,13H2,1H3,(H,22,24).
What are the key properties of 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 384.28 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 46512994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).