4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol

C15H14N4O — CID 3140422

IUPAC4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol
SMILESCCn1c(/N=N/c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C15H14N4O/c1-2-19-14-6-4-3-5-13(14)16-15(19)18-17-11-7-9-12(20)10-8-11/h3-10,20H,2H2,1H3/b18-17+
InChIKeyUGTOKWDFRRIOAS-ISLYRVAYSA-N
MW266.30 g/mol
LogP4.18
Rot. Bonds3

About 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol

4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol (PubChem CID 3140422) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol
PubChem CID3140422
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol
SMILESCCn1c(/N=N/c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C15H14N4O/c1-2-19-14-6-4-3-5-13(14)16-15(19)18-17-11-7-9-12(20)10-8-11/h3-10,20H,2H2,1H3/b18-17+
InChIKeyUGTOKWDFRRIOAS-ISLYRVAYSA-N
XLogP4.18
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
CID 3123552
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
4-bromo-2-[(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
CID 3598665
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 136636081
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol?
The IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol (CID 3140422) is 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol.
What is the SMILES notation for 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol?
The canonical SMILES for 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol is CCn1c(/N=N/c2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol?
The InChIKey is UGTOKWDFRRIOAS-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-19-14-6-4-3-5-13(14)16-15(19)18-17-11-7-9-12(20)10-8-11/h3-10,20H,2H2,1H3/b18-17+.
What are the key properties of 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol?
4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol has a molecular weight of 266.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol is sourced from PubChem (CID 3140422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).