6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole

C18H14N4O2S — CID 52945299

IUPAC6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1
InChIInChI=1S/C18H14N4O2S/c1-25(23,24)14-7-8-15-16(9-14)22-18(21-15)13-10-19-17(20-11-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
InChIKeyPKPWCVKPIFGHQV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.09
Rot. Bonds3

About 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole

6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole (PubChem CID 52945299) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
PubChem CID52945299
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1
InChIInChI=1S/C18H14N4O2S/c1-25(23,24)14-7-8-15-16(9-14)22-18(21-15)13-10-19-17(20-11-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
InChIKeyPKPWCVKPIFGHQV-UHFFFAOYSA-N
XLogP3.09
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenylbenzimidazole-5-Sulfonic Acid
CID 33919
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline
CID 11688103
(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
CID 11710963
2-[2-(4-methylphenyl)sulfonylethyl]-1H-benzimidazole
CID 685518
Disuprazole
CID 65861
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
2,4-Diaminopyrimidine-based antagonist, 7
CID 11846463
Pyrrolopyrimidine 20
CID 23646632
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
4-Azanyl-6-[[(1~{s})-1-[6-Fluoranyl-1-(3-Methylsulfonylphenyl)benzimidazol-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 58459197
4-(dimethylamino)-N-methyl-3-[[6-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 54675501

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
The IUPAC name of 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole (CID 52945299) is 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
The InChIKey is PKPWCVKPIFGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-25(23,24)14-7-8-15-16(9-14)22-18(21-15)13-10-19-17(20-11-13)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22).
What are the key properties of 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole?
6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole has a molecular weight of 350.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole is sourced from PubChem (CID 52945299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).