N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

C25H25N3O3S — CID 86916473

IUPACN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C25H25N3O3S/c1-18(27(2)25(29)21-10-8-19(9-11-21)16-32(3,30)31)20-12-14-22(15-13-20)28-17-26-23-6-4-5-7-24(23)28/h4-15,17-18H,16H2,1-3H3
InChIKeyPUSYKVYJMLLFJC-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.40
Rot. Bonds6

About N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (PubChem CID 86916473) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
PubChem CID86916473
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C25H25N3O3S/c1-18(27(2)25(29)21-10-8-19(9-11-21)16-32(3,30)31)20-12-14-22(15-13-20)28-17-26-23-6-4-5-7-24(23)28/h4-15,17-18H,16H2,1-3H3
InChIKeyPUSYKVYJMLLFJC-UHFFFAOYSA-N
XLogP4.40
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 86916477
N-methyl-4-(methylsulfonylmethyl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471187
N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
CID 42263428
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
CID 55570520
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86975244
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18111635
1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 24612469
4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 31370181
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
4-(benzotriazol-1-ylmethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 43057973
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 86887747

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (CID 86916473) is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is CC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The InChIKey is PUSYKVYJMLLFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-18(27(2)25(29)21-10-8-19(9-11-21)16-32(3,30)31)20-12-14-22(15-13-20)28-17-26-23-6-4-5-7-24(23)28/h4-15,17-18H,16H2,1-3H3.
What are the key properties of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide has a molecular weight of 447.56 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 86916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).