(2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone

C19H14N2O4S — CID 17412552

IUPAC(2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone
SMILESCS(=O)(=O)c1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12
InChIInChI=1S/C19H14N2O4S/c1-26(24,25)17-10-12(18(23)13-6-2-5-9-16(13)22)11-21-15-8-4-3-7-14(15)20-19(17)21/h2-11,22H,1H3
InChIKeyGFJHYTITUBRMKP-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.83
Rot. Bonds3

About (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone

(2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone (PubChem CID 17412552) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone
PubChem CID17412552
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name(2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone
SMILESCS(=O)(=O)c1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12
InChIInChI=1S/C19H14N2O4S/c1-26(24,25)17-10-12(18(23)13-6-2-5-9-16(13)22)11-21-15-8-4-3-7-14(15)20-19(17)21/h2-11,22H,1H3
InChIKeyGFJHYTITUBRMKP-UHFFFAOYSA-N
XLogP2.83
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone (CID 17412552) is (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone is CS(=O)(=O)c1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12.
What is the InChIKey of (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone?
The InChIKey is GFJHYTITUBRMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-26(24,25)17-10-12(18(23)13-6-2-5-9-16(13)22)11-21-15-8-4-3-7-14(15)20-19(17)21/h2-11,22H,1H3.
What are the key properties of (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone?
(2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(4-methylsulfonylpyrido[1,2-a]benzimidazol-2-yl)methanone is sourced from PubChem (CID 17412552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).