2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol

C17H18N2O2 — CID 83128665

IUPAC2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol
SMILESCCn1c(Cc2cccc(OC)c2O)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-14-9-5-4-8-13(14)18-16(19)11-12-7-6-10-15(21-2)17(12)20/h4-10,20H,3,11H2,1-2H3
InChIKeyDZRMNPBCBKWEOI-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.36
Rot. Bonds4

About 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol

2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol (PubChem CID 83128665) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol
PubChem CID83128665
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol
SMILESCCn1c(Cc2cccc(OC)c2O)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-3-19-14-9-5-4-8-13(14)18-16(19)11-12-7-6-10-15(21-2)17(12)20/h4-10,20H,3,11H2,1-2H3
InChIKeyDZRMNPBCBKWEOI-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol 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-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-[(1-ethylbenzimidazol-2-yl)methyl]pyridin-3-ol
CID 83129846
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol (CID 83128665) is 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol is CCn1c(Cc2cccc(OC)c2O)nc2ccccc21.
What is the InChIKey of 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol?
The InChIKey is DZRMNPBCBKWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19-14-9-5-4-8-13(14)18-16(19)11-12-7-6-10-15(21-2)17(12)20/h4-10,20H,3,11H2,1-2H3.
What are the key properties of 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol?
2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol has a molecular weight of 282.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol is sourced from PubChem (CID 83128665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).