4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C18H15BrFN3O — CID 17491274

IUPAC4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C18H15BrFN3O/c1-23-11-10-21-17(23)16(14-4-2-3-5-15(14)20)22-18(24)12-6-8-13(19)9-7-12/h2-11,16H,1H3,(H,22,24)
InChIKeyCPKIOYOORAYWAN-UHFFFAOYSA-N
MW388.24 g/mol
LogP3.84
Rot. Bonds4

About 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 17491274) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID17491274
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC Name4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C18H15BrFN3O/c1-23-11-10-21-17(23)16(14-4-2-3-5-15(14)20)22-18(24)12-6-8-13(19)9-7-12/h2-11,16H,1H3,(H,22,24)
InChIKeyCPKIOYOORAYWAN-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 41036704
5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25348091
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)benzamide
CID 18102497
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 27900346
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
2,3-dichloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923192
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 24529734
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46528319
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25406465
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 17491274) is 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1C(NC(=O)c1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is CPKIOYOORAYWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c1-23-11-10-21-17(23)16(14-4-2-3-5-15(14)20)22-18(24)12-6-8-13(19)9-7-12/h2-11,16H,1H3,(H,22,24).
What are the key properties of 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 388.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17491274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).