2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

C15H12N4O2S — CID 166385617

IUPAC2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2nc3cc4nc[nH]c4cc3[nH]2)cc1
InChIInChI=1S/C15H12N4O2S/c1-22(20,21)10-4-2-9(3-5-10)15-18-13-6-11-12(17-8-16-11)7-14(13)19-15/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyNQFVNMJMKXZAAC-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.51
Rot. Bonds2

About 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 166385617) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID166385617
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2nc3cc4nc[nH]c4cc3[nH]2)cc1
InChIInChI=1S/C15H12N4O2S/c1-22(20,21)10-4-2-9(3-5-10)15-18-13-6-11-12(17-8-16-11)7-14(13)19-15/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyNQFVNMJMKXZAAC-UHFFFAOYSA-N
XLogP2.51
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 79599219
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 81137552
2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 11508555
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
2-(2-methoxy-4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-g]quinoxalin-6-one
CID 19896798
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 82373683
2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069162

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (CID 166385617) is 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is CS(=O)(=O)c1ccc(-c2nc3cc4nc[nH]c4cc3[nH]2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is NQFVNMJMKXZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-22(20,21)10-4-2-9(3-5-10)15-18-13-6-11-12(17-8-16-11)7-14(13)19-15/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 312.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 166385617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).