4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol

C17H19N3O — CID 60836347

IUPAC4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
SMILESCCn1c(CNc2ccc(O)cc2)nc2cc(C)ccc21
InChIInChI=1S/C17H19N3O/c1-3-20-16-9-4-12(2)10-15(16)19-17(20)11-18-13-5-7-14(21)8-6-13/h4-10,18,21H,3,11H2,1-2H3
InChIKeyCVQSNNDKAZDING-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds4

About 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol

4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol (PubChem CID 60836347) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
PubChem CID60836347
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
SMILESCCn1c(CNc2ccc(O)cc2)nc2cc(C)ccc21
InChIInChI=1S/C17H19N3O/c1-3-20-16-9-4-12(2)10-15(16)19-17(20)11-18-13-5-7-14(21)8-6-13/h4-10,18,21H,3,11H2,1-2H3
InChIKeyCVQSNNDKAZDING-UHFFFAOYSA-N
XLogP3.68
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]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

N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456529
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 177372410
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol?
The IUPAC name of 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol (CID 60836347) is 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol.
What is the SMILES notation for 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol?
The canonical SMILES for 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol is CCn1c(CNc2ccc(O)cc2)nc2cc(C)ccc21.
What is the InChIKey of 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol?
The InChIKey is CVQSNNDKAZDING-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-20-16-9-4-12(2)10-15(16)19-17(20)11-18-13-5-7-14(21)8-6-13/h4-10,18,21H,3,11H2,1-2H3.
What are the key properties of 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol?
4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol is sourced from PubChem (CID 60836347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).