4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol

C16H17N3O — CID 60833755

IUPAC4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
SMILESCc1ccc2c(c1)nc(CNc1ccc(O)cc1)n2C
InChIInChI=1S/C16H17N3O/c1-11-3-8-15-14(9-11)18-16(19(15)2)10-17-12-4-6-13(20)7-5-12/h3-9,17,20H,10H2,1-2H3
InChIKeyLBRQQJRMMBUQEB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds3

About 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol

4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol (PubChem CID 60833755) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
PubChem CID60833755
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
SMILESCc1ccc2c(c1)nc(CNc1ccc(O)cc1)n2C
InChIInChI=1S/C16H17N3O/c1-11-3-8-15-14(9-11)18-16(19(15)2)10-17-12-4-6-13(20)7-5-12/h3-9,17,20H,10H2,1-2H3
InChIKeyLBRQQJRMMBUQEB-UHFFFAOYSA-N
XLogP3.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
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

4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
CID 60836347
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 133480328
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472350
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 133480310
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 7309525
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456529
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
4-[(1-methyl-5-nitrobenzimidazol-2-yl)methylamino]benzonitrile
CID 11034153
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133480272

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol?
The IUPAC name of 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol (CID 60833755) is 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol.
What is the SMILES notation for 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol?
The canonical SMILES for 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol is Cc1ccc2c(c1)nc(CNc1ccc(O)cc1)n2C.
What is the InChIKey of 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol?
The InChIKey is LBRQQJRMMBUQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-3-8-15-14(9-11)18-16(19(15)2)10-17-12-4-6-13(20)7-5-12/h3-9,17,20H,10H2,1-2H3.
What are the key properties of 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol?
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol is sourced from PubChem (CID 60833755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).