2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol

C17H18N2O3 — CID 146024273

IUPAC2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc3cc(OC)ccc3n2C)ccc1O
InChIInChI=1S/C17H18N2O3/c1-4-22-16-9-11(5-8-15(16)20)17-18-13-10-12(21-3)6-7-14(13)19(17)2/h5-10,20H,4H2,1-3H3
InChIKeyVXXVLEZIESHLOD-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.35
Rot. Bonds4

About 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol

2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol (PubChem CID 146024273) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
PubChem CID146024273
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc3cc(OC)ccc3n2C)ccc1O
InChIInChI=1S/C17H18N2O3/c1-4-22-16-9-11(5-8-15(16)20)17-18-13-10-12(21-3)6-7-14(13)19(17)2/h5-10,20H,4H2,1-3H3
InChIKeyVXXVLEZIESHLOD-UHFFFAOYSA-N
XLogP3.35
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928305
2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol
CID 10494614
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 4789393
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 162531082
ethyl 2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-methylbenzimidazole-5-carboxylate
CID 156583438
2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole
CID 146024352
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol (CID 146024273) is 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol is CCOc1cc(-c2nc3cc(OC)ccc3n2C)ccc1O.
What is the InChIKey of 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol?
The InChIKey is VXXVLEZIESHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-22-16-9-11(5-8-15(16)20)17-18-13-10-12(21-3)6-7-14(13)19(17)2/h5-10,20H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol?
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol has a molecular weight of 298.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 146024273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).