N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide

C19H21N3O3S — CID 55408980

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCn1c(CNC(=O)c2cccc(CS(C)(=O)=O)c2)nc2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-3-22-17-10-5-4-9-16(17)21-18(22)12-20-19(23)15-8-6-7-14(11-15)13-26(2,24)25/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyDZDQEPHFIRCPFS-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.53
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 55408980) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID55408980
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCn1c(CNC(=O)c2cccc(CS(C)(=O)=O)c2)nc2ccccc21
InChIInChI=1S/C19H21N3O3S/c1-3-22-17-10-5-4-9-16(17)21-18(22)12-20-19(23)15-8-6-7-14(11-15)13-26(2,24)25/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyDZDQEPHFIRCPFS-UHFFFAOYSA-N
XLogP2.53
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide
CID 71942268
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 39969798
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 18116770

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide (CID 55408980) is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide is CCn1c(CNC(=O)c2cccc(CS(C)(=O)=O)c2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is DZDQEPHFIRCPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-22-17-10-5-4-9-16(17)21-18(22)12-20-19(23)15-8-6-7-14(11-15)13-26(2,24)25/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 55408980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).