3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol

C15H14N2O3 — CID 136928305

IUPAC3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol
SMILESCOc1ccc2c(c1)nc(-c1cccc(O)c1O)n2C
InChIInChI=1S/C15H14N2O3/c1-17-12-7-6-9(20-2)8-11(12)16-15(17)10-4-3-5-13(18)14(10)19/h3-8,18-19H,1-2H3
InChIKeySAWLCGGJONXWSQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.66
Rot. Bonds2

About 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol

3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol (PubChem CID 136928305) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol
PubChem CID136928305
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol
SMILESCOc1ccc2c(c1)nc(-c1cccc(O)c1O)n2C
InChIInChI=1S/C15H14N2O3/c1-17-12-7-6-9(20-2)8-11(12)16-15(17)10-4-3-5-13(18)14(10)19/h3-8,18-19H,1-2H3
InChIKeySAWLCGGJONXWSQ-UHFFFAOYSA-N
XLogP2.66
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole
CID 146024352
5-methoxy-1-methyl-2-(6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-yl)benzimidazole
CID 123421729
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
3-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928249
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
CID 155598914

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol?
The IUPAC name of 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol (CID 136928305) is 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol is COc1ccc2c(c1)nc(-c1cccc(O)c1O)n2C.
What is the InChIKey of 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol?
The InChIKey is SAWLCGGJONXWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17-12-7-6-9(20-2)8-11(12)16-15(17)10-4-3-5-13(18)14(10)19/h3-8,18-19H,1-2H3.
What are the key properties of 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol?
3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol has a molecular weight of 270.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136928305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).