2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol

C10H12N2O2 — CID 134100901

IUPAC2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
SMILESCc1nc2ccccc2n1CC(O)O
InChIInChI=1S/C10H12N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5,10,13-14H,6H2,1H3
InChIKeyRXLOBFQXDLRIDK-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.66
Rot. Bonds2

About 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol

2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol (PubChem CID 134100901) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
PubChem CID134100901
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
SMILESCc1nc2ccccc2n1CC(O)O
InChIInChI=1S/C10H12N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5,10,13-14H,6H2,1H3
InChIKeyRXLOBFQXDLRIDK-UHFFFAOYSA-N
XLogP0.66
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
CID 66222131
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
CID 43531451
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol (CID 134100901) is 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol is Cc1nc2ccccc2n1CC(O)O.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol?
The InChIKey is RXLOBFQXDLRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5,10,13-14H,6H2,1H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol?
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol has a molecular weight of 192.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol is sourced from PubChem (CID 134100901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).