N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide

C19H21N3O3S — CID 26444132

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O3S/c1-14-21-17-8-3-4-9-18(17)22(14)11-10-20-19(23)16-7-5-6-15(12-16)13-26(2,24)25/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyMHVZZPDDSVBTEH-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 26444132) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID26444132
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O3S/c1-14-21-17-8-3-4-9-18(17)22(14)11-10-20-19(23)16-7-5-6-15(12-16)13-26(2,24)25/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyMHVZZPDDSVBTEH-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24554264
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
CID 55794237
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide (CID 26444132) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide is Cc1nc2ccccc2n1CCNC(=O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is MHVZZPDDSVBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-21-17-8-3-4-9-18(17)22(14)11-10-20-19(23)16-7-5-6-15(12-16)13-26(2,24)25/h3-9,12H,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26444132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).