2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole

C20H22N4O2S — CID 1080111

IUPAC2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
SMILESCC(C)c1nc2ccc(S(=O)(=O)c3ccc4nc(C(C)C)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C20H22N4O2S/c1-11(2)19-21-15-7-5-13(9-17(15)23-19)27(25,26)14-6-8-16-18(10-14)24-20(22-16)12(3)4/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyJUEJEOBWRIECSW-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.52
Rot. Bonds4

About 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole

2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole (PubChem CID 1080111) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
PubChem CID1080111
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
SMILESCC(C)c1nc2ccc(S(=O)(=O)c3ccc4nc(C(C)C)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C20H22N4O2S/c1-11(2)19-21-15-7-5-13(9-17(15)23-19)27(25,26)14-6-8-16-18(10-14)24-20(22-16)12(3)4/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyJUEJEOBWRIECSW-UHFFFAOYSA-N
XLogP4.52
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
CID 142431788
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
CID 162266881
CID 162266881
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
CID 1080107
6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285595
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
2-methyl-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)butanoic acid
CID 103499880
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110779087

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The IUPAC name of 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole (CID 1080111) is 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole.
What is the SMILES notation for 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The canonical SMILES for 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole is CC(C)c1nc2ccc(S(=O)(=O)c3ccc4nc(C(C)C)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The InChIKey is JUEJEOBWRIECSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-11(2)19-21-15-7-5-13(9-17(15)23-19)27(25,26)14-6-8-16-18(10-14)24-20(22-16)12(3)4/h5-12H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole has a molecular weight of 382.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole is sourced from PubChem (CID 1080111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).