3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol

C15H14N4O2 — CID 3116455

IUPAC3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol
SMILESCOc1cc(O)ccc1/N=N/c1nc2ccccc2n1C
InChIInChI=1S/C15H14N4O2/c1-19-13-6-4-3-5-11(13)16-15(19)18-17-12-8-7-10(20)9-14(12)21-2/h3-9,20H,1-2H3/b18-17+
InChIKeyNVEWSJWWQSSDRX-ISLYRVAYSA-N
MW282.30 g/mol
LogP3.70
Rot. Bonds3

About 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol

3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol (PubChem CID 3116455) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol
PubChem CID3116455
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol
SMILESCOc1cc(O)ccc1/N=N/c1nc2ccccc2n1C
InChIInChI=1S/C15H14N4O2/c1-19-13-6-4-3-5-11(13)16-15(19)18-17-12-8-7-10(20)9-14(12)21-2/h3-9,20H,1-2H3/b18-17+
InChIKeyNVEWSJWWQSSDRX-ISLYRVAYSA-N
XLogP3.70
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]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-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol
CID 2851797
1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine
CID 58672187
N'-(1-methylbenzimidazol-2-yl)ethanimidamide
CID 144505597
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
2-bromo-6-methoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031249
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111217547
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745
2-methoxy-1-methylbenzimidazole;propane
CID 160678842
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol?
The IUPAC name of 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol (CID 3116455) is 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol.
What is the SMILES notation for 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol?
The canonical SMILES for 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol is COc1cc(O)ccc1/N=N/c1nc2ccccc2n1C.
What is the InChIKey of 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol?
The InChIKey is NVEWSJWWQSSDRX-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19-13-6-4-3-5-11(13)16-15(19)18-17-12-8-7-10(20)9-14(12)21-2/h3-9,20H,1-2H3/b18-17+.
What are the key properties of 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol?
3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol has a molecular weight of 282.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol is sourced from PubChem (CID 3116455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).