4-[(1-methylbenzimidazol-2-yl)amino]phenol

C14H13N3O — CID 59327014

IUPAC4-[(1-methylbenzimidazol-2-yl)amino]phenol
SMILESCn1c(Nc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C14H13N3O/c1-17-13-5-3-2-4-12(13)16-14(17)15-10-6-8-11(18)9-7-10/h2-9,18H,1H3,(H,15,16)
InChIKeyFUWGJBNHUZEESW-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.02
Rot. Bonds2

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

4-[(1-methylbenzimidazol-2-yl)amino]phenol (PubChem CID 59327014) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)amino]phenol
PubChem CID59327014
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[(1-methylbenzimidazol-2-yl)amino]phenol
SMILESCn1c(Nc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C14H13N3O/c1-17-13-5-3-2-4-12(13)16-14(17)15-10-6-8-11(18)9-7-10/h2-9,18H,1H3,(H,15,16)
InChIKeyFUWGJBNHUZEESW-UHFFFAOYSA-N
XLogP3.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)amino]phenol?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)amino]phenol (CID 59327014) is 4-[(1-methylbenzimidazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)amino]phenol?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)amino]phenol is Cn1c(Nc2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)amino]phenol?
The InChIKey is FUWGJBNHUZEESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-13-5-3-2-4-12(13)16-14(17)15-10-6-8-11(18)9-7-10/h2-9,18H,1H3,(H,15,16).
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)amino]phenol?
4-[(1-methylbenzimidazol-2-yl)amino]phenol has a molecular weight of 239.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)amino]phenol is sourced from PubChem (CID 59327014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).