5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C18H14BrClFN3O — CID 25348091

IUPAC5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1F
InChIInChI=1S/C18H14BrClFN3O/c1-24-9-8-22-17(24)16(12-4-2-3-5-15(12)21)23-18(25)13-10-11(19)6-7-14(13)20/h2-10,16H,1H3,(H,23,25)/t16-/m0/s1
InChIKeyHYZOOJYWTUOISR-INIZCTEOSA-N
MW422.69 g/mol
LogP4.49
Rot. Bonds4

About 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 25348091) has the molecular formula C18H14BrClFN3O and a molecular weight of 422.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID25348091
Molecular FormulaC18H14BrClFN3O
Molecular Weight422.69 g/mol
Exact Mass421.00
IUPAC Name5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1F
InChIInChI=1S/C18H14BrClFN3O/c1-24-9-8-22-17(24)16(12-4-2-3-5-15(12)21)23-18(25)13-10-11(19)6-7-14(13)20/h2-10,16H,1H3,(H,23,25)/t16-/m0/s1
InChIKeyHYZOOJYWTUOISR-INIZCTEOSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.69
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 17491274
2,3-dichloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923192
2-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 46528290
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
2-(2,6-dichlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25325328
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 27900346
2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide
CID 51728102
5-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 42923218
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 25348091) is 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1F.
What is the InChIKey of 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is HYZOOJYWTUOISR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14BrClFN3O/c1-24-9-8-22-17(24)16(12-4-2-3-5-15(12)21)23-18(25)13-10-11(19)6-7-14(13)20/h2-10,16H,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 422.69 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 25348091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).