2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol

C16H17N3O2 — CID 136872120

IUPAC2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
SMILESCOCCn1c(-c2ccc(O)c(N)c2)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-21-9-8-19-14-5-3-2-4-13(14)18-16(19)11-6-7-15(20)12(17)10-11/h2-7,10,20H,8-9,17H2,1H3
InChIKeyUHOSXPYFWKZRMZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol

2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol (PubChem CID 136872120) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
PubChem CID136872120
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
SMILESCOCCn1c(-c2ccc(O)c(N)c2)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-21-9-8-19-14-5-3-2-4-13(14)18-16(19)11-6-7-15(20)12(17)10-11/h2-7,10,20H,8-9,17H2,1H3
InChIKeyUHOSXPYFWKZRMZ-UHFFFAOYSA-N
XLogP2.64
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol 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

4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 136751423
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136885883
3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 82809436
2-[3-(chloromethyl)phenyl]-1-(2-methoxyethyl)benzimidazole
CID 62388285
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872074
2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol
CID 82149308
2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline
CID 107049921
4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole
CID 47052836
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol (CID 136872120) is 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol is COCCn1c(-c2ccc(O)c(N)c2)nc2ccccc21.
What is the InChIKey of 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
The InChIKey is UHOSXPYFWKZRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-9-8-19-14-5-3-2-4-13(14)18-16(19)11-6-7-15(20)12(17)10-11/h2-7,10,20H,8-9,17H2,1H3.
What are the key properties of 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol has a molecular weight of 283.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 136872120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).