N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide

C18H16ClN3O3S — CID 130384064

IUPACN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cn(Cc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-26(24,25)16-7-5-14(6-8-16)18(23)21-17-11-22(12-20-17)10-13-3-2-4-15(19)9-13/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyDCJIHFILUJELLK-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.24
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide (PubChem CID 130384064) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
PubChem CID130384064
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cn(Cc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-26(24,25)16-7-5-14(6-8-16)18(23)21-17-11-22(12-20-17)10-13-3-2-4-15(19)9-13/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyDCJIHFILUJELLK-UHFFFAOYSA-N
XLogP3.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
CID 159939674
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 129205649
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
CID 130384416
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide (CID 130384064) is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cn(Cc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide?
The InChIKey is DCJIHFILUJELLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-26(24,25)16-7-5-14(6-8-16)18(23)21-17-11-22(12-20-17)10-13-3-2-4-15(19)9-13/h2-9,11-12H,10H2,1H3,(H,21,23).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide?
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide has a molecular weight of 389.86 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 130384064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).