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

C15H15N3O — CID 699797

IUPAC4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
SMILESCn1c(CNc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C15H15N3O/c1-18-14-5-3-2-4-13(14)17-15(18)10-16-11-6-8-12(19)9-7-11/h2-9,16,19H,10H2,1H3
InChIKeyXDXKWHURMDZLBS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.89
Rot. Bonds3

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

4-[(1-methylbenzimidazol-2-yl)methylamino]phenol (PubChem CID 699797) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
PubChem CID699797
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
SMILESCn1c(CNc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C15H15N3O/c1-18-14-5-3-2-4-13(14)17-15(18)10-16-11-6-8-12(19)9-7-11/h2-9,16,19H,10H2,1H3
InChIKeyXDXKWHURMDZLBS-UHFFFAOYSA-N
XLogP2.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
1-(4-Hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 628693
4-(1H-1,3-benzodiazol-1-yl)phenol
CID 5328449
3-(1H-Benzoimidazol-2-yl)-phenol
CID 763204
1-Phenyl-5-hydroxybenzimidazole
CID 667662
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
2-[[2-[[1-(2-Aminoethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 511012
3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932
1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10804748
3-[1-(4-Phenoxybutyl)benzimidazol-2-yl]propan-1-ol
CID 2946738

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol (CID 699797) is 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol is Cn1c(CNc2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
The InChIKey is XDXKWHURMDZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-14-5-3-2-4-13(14)17-15(18)10-16-11-6-8-12(19)9-7-11/h2-9,16,19H,10H2,1H3.
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)methylamino]phenol?
4-[(1-methylbenzimidazol-2-yl)methylamino]phenol has a molecular weight of 253.31 g/mol, XLogP of 2.89, 3 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)methylamino]phenol is sourced from PubChem (CID 699797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).