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

C18H18N4O2S — CID 139799496

IUPAC2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
SMILESCCc1nc2ccc(S(=O)(=O)c3ccc4nc(CC)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C18H18N4O2S/c1-3-17-19-13-7-5-11(9-15(13)21-17)25(23,24)12-6-8-14-16(10-12)22-18(4-2)20-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVLZQVZKCEVZAOW-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.40
Rot. Bonds4

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

2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole (PubChem CID 139799496) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
PubChem CID139799496
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
SMILESCCc1nc2ccc(S(=O)(=O)c3ccc4nc(CC)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C18H18N4O2S/c1-3-17-19-13-7-5-11(9-15(13)21-17)25(23,24)12-6-8-14-16(10-12)22-18(4-2)20-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVLZQVZKCEVZAOW-UHFFFAOYSA-N
XLogP3.40
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3H-benzimidazole-5-sulfonamide
CID 60649079
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
CID 1080107
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 1080111
2-(aminomethyl)-3H-benzimidazole-5-sulfonate
CID 153436267
2-(hydroxymethyl)-3H-benzimidazole-5-sulfonic acid chloride
CID 43829262
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide
CID 110779021
1-[(6-methylsulfonyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846343
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
2-benzyl-6-methylsulfonyl-1H-benzimidazole
CID 62067786

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The IUPAC name of 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole (CID 139799496) is 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole.
What is the SMILES notation for 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The canonical SMILES for 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole is CCc1nc2ccc(S(=O)(=O)c3ccc4nc(CC)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
The InChIKey is VLZQVZKCEVZAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-17-19-13-7-5-11(9-15(13)21-17)25(23,24)12-6-8-14-16(10-12)22-18(4-2)20-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole?
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole has a molecular weight of 354.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole is sourced from PubChem (CID 139799496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).