N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C16H22N4O3S — CID 51305225

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCn1c(CNC(=O)C2CCCN2S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C16H22N4O3S/c1-3-19-13-8-5-4-7-12(13)18-15(19)11-17-16(21)14-9-6-10-20(14)24(2,22)23/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,21)
InChIKeyYZQKFUGAIMTZLQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.10
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51305225) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID51305225
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCn1c(CNC(=O)C2CCCN2S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C16H22N4O3S/c1-3-19-13-8-5-4-7-12(13)18-15(19)11-17-16(21)14-9-6-10-20(14)24(2,22)23/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,21)
InChIKeyYZQKFUGAIMTZLQ-UHFFFAOYSA-N
XLogP1.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 71684963
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 40939662
1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 51305841
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55498979
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118771248
(2S)-2-(3,4-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 96997357
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
(2S)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91771287
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 51305225) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide is CCn1c(CNC(=O)C2CCCN2S(C)(=O)=O)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is YZQKFUGAIMTZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-3-19-13-8-5-4-7-12(13)18-15(19)11-17-16(21)14-9-6-10-20(14)24(2,22)23/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,21).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.10, 5 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]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51305225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).