1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile

C14H13N5O2S — CID 56805996

IUPAC1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile
SMILESCS(=O)(=O)c1nc2ccccc2n1CCn1cc(C#N)cn1
InChIInChI=1S/C14H13N5O2S/c1-22(20,21)14-17-12-4-2-3-5-13(12)19(14)7-6-18-10-11(8-15)9-16-18/h2-5,9-10H,6-7H2,1H3
InChIKeyDBEPJZSQXVELSZ-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.21
Rot. Bonds4

About 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile

1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile (PubChem CID 56805996) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile
PubChem CID56805996
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile
SMILESCS(=O)(=O)c1nc2ccccc2n1CCn1cc(C#N)cn1
InChIInChI=1S/C14H13N5O2S/c1-22(20,21)14-17-12-4-2-3-5-13(12)19(14)7-6-18-10-11(8-15)9-16-18/h2-5,9-10H,6-7H2,1H3
InChIKeyDBEPJZSQXVELSZ-UHFFFAOYSA-N
XLogP1.21
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methylsulfonylbenzimidazol-1-yl)butan-2-one
CID 30906910
3-(2-methylsulfonylbenzimidazol-1-yl)propane-1-sulfonate
CID 162460225
2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile
CID 63641020
N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835332
1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 30906896
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride
CID 146048593
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133
2-(2,3-dimethoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 30835362
2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 27934156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile (CID 56805996) is 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile is CS(=O)(=O)c1nc2ccccc2n1CCn1cc(C#N)cn1.
What is the InChIKey of 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile?
The InChIKey is DBEPJZSQXVELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-22(20,21)14-17-12-4-2-3-5-13(12)19(14)7-6-18-10-11(8-15)9-16-18/h2-5,9-10H,6-7H2,1H3.
What are the key properties of 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile?
1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile has a molecular weight of 315.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 56805996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).