4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine

C18H19N3O3S — CID 103597241

IUPAC4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
SMILESCc1ccc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H19N3O3S/c1-13-2-7-16-17(12-13)20-18(19-16)14-3-5-15(6-4-14)25(22,23)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyWFGBFVVZDVANLR-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.56
Rot. Bonds3

About 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine

4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine (PubChem CID 103597241) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
PubChem CID103597241
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
SMILESCc1ccc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H19N3O3S/c1-13-2-7-16-17(12-13)20-18(19-16)14-3-5-15(6-4-14)25(22,23)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20)
InChIKeyWFGBFVVZDVANLR-UHFFFAOYSA-N
XLogP2.56
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1455598
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896862
2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
CID 110643432
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine (CID 103597241) is 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine is Cc1ccc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2c1.
What is the InChIKey of 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
The InChIKey is WFGBFVVZDVANLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-2-7-16-17(12-13)20-18(19-16)14-3-5-15(6-4-14)25(22,23)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,19,20).
What are the key properties of 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine?
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine has a molecular weight of 357.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 103597241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).