5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol

C15H22N2O5 — CID 142997317

IUPAC5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol
SMILESCC(O)C(O)C(O)C(C)OCOc1cccc2ncn(C)c12
InChIInChI=1S/C15H22N2O5/c1-9(18)14(19)15(20)10(2)21-8-22-12-6-4-5-11-13(12)17(3)7-16-11/h4-7,9-10,14-15,18-20H,8H2,1-3H3
InChIKeyJJBMKMITUWZSKE-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.42
Rot. Bonds7

About 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol

5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol (PubChem CID 142997317) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol.

Molecular Properties

Compound Name5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol
PubChem CID142997317
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol
SMILESCC(O)C(O)C(O)C(C)OCOc1cccc2ncn(C)c12
InChIInChI=1S/C15H22N2O5/c1-9(18)14(19)15(20)10(2)21-8-22-12-6-4-5-11-13(12)17(3)7-16-11/h4-7,9-10,14-15,18-20H,8H2,1-3H3
InChIKeyJJBMKMITUWZSKE-UHFFFAOYSA-N
XLogP0.42
TPSA96.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylbenzimidazol-4-yl)oxyethanamine
CID 84663319
ethane;1-methyl-7-prop-2-ynoxybenzimidazole
CID 142521608
3-methylbenzimidazol-4-ol
CID 3771453
N'-hydroxy-2-(3-methylbenzimidazol-4-yl)ethanimidamide
CID 83881889
3-methylbenzimidazole-4-carbaldehyde
CID 82415600
1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one
CID 59651028
trimethyl-[2-[[7-(2-trimethylsilylethoxymethoxy)benzimidazol-1-yl]methoxy]ethyl]silane
CID 67293077
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 112577077
1,9-dimethylimidazo[4,5-c]quinoline
CID 10442691
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol?
The IUPAC name of 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol (CID 142997317) is 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol.
What is the SMILES notation for 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol?
The canonical SMILES for 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol is CC(O)C(O)C(O)C(C)OCOc1cccc2ncn(C)c12.
What is the InChIKey of 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol?
The InChIKey is JJBMKMITUWZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-9(18)14(19)15(20)10(2)21-8-22-12-6-4-5-11-13(12)17(3)7-16-11/h4-7,9-10,14-15,18-20H,8H2,1-3H3.
What are the key properties of 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol?
5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol has a molecular weight of 310.35 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylbenzimidazol-4-yl)oxymethoxy]hexane-2,3,4-triol is sourced from PubChem (CID 142997317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).