N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

C18H15BrClN3O — CID 43924902

IUPACN-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C18H15BrClN3O/c1-12-21-8-9-23(12)11-13-2-4-14(5-3-13)18(24)22-15-6-7-16(19)17(20)10-15/h2-10H,11H2,1H3,(H,22,24)
InChIKeyZZMFSUUYHSYUPW-UHFFFAOYSA-N
MW404.70 g/mol
LogP4.91
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 43924902) has the molecular formula C18H15BrClN3O and a molecular weight of 404.70 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID43924902
Molecular FormulaC18H15BrClN3O
Molecular Weight404.70 g/mol
Exact Mass403.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C18H15BrClN3O/c1-12-21-8-9-23(12)11-13-2-4-14(5-3-13)18(24)22-15-6-7-16(19)17(20)10-15/h2-10H,11H2,1H3,(H,22,24)
InChIKeyZZMFSUUYHSYUPW-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922204
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-[(2-methylimidazol-1-yl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560997
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56577246
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 43924902) is N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is ZZMFSUUYHSYUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O/c1-12-21-8-9-23(12)11-13-2-4-14(5-3-13)18(24)22-15-6-7-16(19)17(20)10-15/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 404.70 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 43924902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).