7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C22H19N3O2S — CID 122622360

IUPAC7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCS(=O)(=O)c1cncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)CC4)c1
InChIInChI=1S/C22H19N3O2S/c1-28(26,27)18-11-17(13-23-14-18)16-7-8-19-21(12-16)25-20(9-10-22(25)24-19)15-5-3-2-4-6-15/h2-8,11-14,20H,9-10H2,1H3
InChIKeyZYSVTRGJLKWAQP-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.04
Rot. Bonds3

About 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 122622360) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID122622360
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCS(=O)(=O)c1cncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)CC4)c1
InChIInChI=1S/C22H19N3O2S/c1-28(26,27)18-11-17(13-23-14-18)16-7-8-19-21(12-16)25-20(9-10-22(25)24-19)15-5-3-2-4-6-15/h2-8,11-14,20H,9-10H2,1H3
InChIKeyZYSVTRGJLKWAQP-UHFFFAOYSA-N
XLogP4.04
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)benzamide;molecular hydrogen
CID 145171921
7-(6-methylsulfonyl-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122622578
3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
CID 67042094
7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122622623
3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
CID 67042095
[4-[(1R)-1-[5-chloro-2-(difluoromethoxy)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 162595640
2-methyl-6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzoxazole
CID 122447520
(1R)-7-nitro-1-phenyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 7312400
7-nitro-1-phenyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 3343852
11-bromo-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 122622000
5-(4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidine-2-carbonitrile
CID 122622037
1-[2-(difluoromethoxy)phenyl]-7-(4-methylsulfanylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 139456229

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 122622360) is 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is CS(=O)(=O)c1cncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)CC4)c1.
What is the InChIKey of 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is ZYSVTRGJLKWAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-28(26,27)18-11-17(13-23-14-18)16-7-8-19-21(12-16)25-20(9-10-22(25)24-19)15-5-3-2-4-6-15/h2-8,11-14,20H,9-10H2,1H3.
What are the key properties of 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 389.48 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylsulfonyl-3-pyridinyl)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 122622360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).