1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol

C17H20N4O3S — CID 56915753

IUPAC1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(NS(=O)(=O)NCc3ccccc3)ccc2n1C
InChIInChI=1S/C17H20N4O3S/c1-12(22)17-19-15-10-14(8-9-16(15)21(17)2)20-25(23,24)18-11-13-6-4-3-5-7-13/h3-10,12,18,20,22H,11H2,1-2H3
InChIKeyMMKITNZIJLZHLQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.07
Rot. Bonds6

About 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol

1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol (PubChem CID 56915753) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol
PubChem CID56915753
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(NS(=O)(=O)NCc3ccccc3)ccc2n1C
InChIInChI=1S/C17H20N4O3S/c1-12(22)17-19-15-10-14(8-9-16(15)21(17)2)20-25(23,24)18-11-13-6-4-3-5-7-13/h3-10,12,18,20,22H,11H2,1-2H3
InChIKeyMMKITNZIJLZHLQ-UHFFFAOYSA-N
XLogP2.07
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779354
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057
2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
CID 177372430
(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
CID 676758
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
3,5-dimethyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779365
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 91639594
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one
CID 56912575

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol (CID 56915753) is 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol is CC(O)c1nc2cc(NS(=O)(=O)NCc3ccccc3)ccc2n1C.
What is the InChIKey of 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol?
The InChIKey is MMKITNZIJLZHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12(22)17-19-15-10-14(8-9-16(15)21(17)2)20-25(23,24)18-11-13-6-4-3-5-7-13/h3-10,12,18,20,22H,11H2,1-2H3.
What are the key properties of 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol?
1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol has a molecular weight of 360.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol is sourced from PubChem (CID 56915753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).