2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol

C24H29N3O5S — CID 136791714

IUPAC2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol
SMILESCc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc(C)c1O
InChIInChI=1S/C24H29N3O5S/c1-16-12-18(13-17(2)23(16)28)24-25-21-14-20(33(29,30)26-7-10-31-11-8-26)5-6-22(21)27(24)15-19-4-3-9-32-19/h5-6,12-14,19,28H,3-4,7-11,15H2,1-2H3/t19-/m1/s1
InChIKeyOPAVXZPBPSMMMZ-LJQANCHMSA-N
MW471.58 g/mol
LogP3.23
Rot. Bonds5

About 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol

2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol (PubChem CID 136791714) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol
PubChem CID136791714
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol
SMILESCc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc(C)c1O
InChIInChI=1S/C24H29N3O5S/c1-16-12-18(13-17(2)23(16)28)24-25-21-14-20(33(29,30)26-7-10-31-11-8-26)5-6-22(21)27(24)15-19-4-3-9-32-19/h5-6,12-14,19,28H,3-4,7-11,15H2,1-2H3/t19-/m1/s1
InChIKeyOPAVXZPBPSMMMZ-LJQANCHMSA-N
XLogP3.23
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol with MolForge

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Related Compounds

4-[2-(4-tert-butylphenyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine
CID 112769852
N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine
CID 92769036
4-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine
CID 46097828
4-[2-[(2,6-difluorophenyl)methylsulfanyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine
CID 92818804
4-[1-[[(2R)-oxolan-2-yl]methyl]-2-[(2,3,6-trifluorophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
CID 98366380
4-[2-[(3-bromophenyl)methylsulfanyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine
CID 98170114
4-[2-[(2,3-difluorophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine
CID 46096187
methyl 5-[[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 92818789
2-[(4-methylphenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzimidazole
CID 46096131
4-[1-(oxolan-2-ylmethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
CID 46097827
2-[[5-(4-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 3170433
1-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylbenzimidazole
CID 98394369

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol (CID 136791714) is 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol is Cc1cc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol?
The InChIKey is OPAVXZPBPSMMMZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-16-12-18(13-17(2)23(16)28)24-25-21-14-20(33(29,30)26-7-10-31-11-8-26)5-6-22(21)27(24)15-19-4-3-9-32-19/h5-6,12-14,19,28H,3-4,7-11,15H2,1-2H3/t19-/m1/s1.
What are the key properties of 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol?
2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol has a molecular weight of 471.58 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 136791714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).