2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol

C18H18N2O2 — CID 135470369

IUPAC2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1cc(OC)cc(-c2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C18H18N2O2/c1-11(2)8-12-9-13(22-3)10-14(17(12)21)18-19-15-6-4-5-7-16(15)20-18/h4-7,9-10,21H,1,8H2,2-3H3,(H,19,20)
InChIKeyXIQZWTWTSJXNBI-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.06
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol

2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol (PubChem CID 135470369) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol
PubChem CID135470369
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1cc(OC)cc(-c2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C18H18N2O2/c1-11(2)8-12-9-13(22-3)10-14(17(12)21)18-19-15-6-4-5-7-16(15)20-18/h4-7,9-10,21H,1,8H2,2-3H3,(H,19,20)
InChIKeyXIQZWTWTSJXNBI-UHFFFAOYSA-N
XLogP4.06
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136742412
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
CID 168554061
5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(methoxymethyl)pyrrol-3-ol
CID 123393361
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
methyl 5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrole-2-carboxylate
CID 123409809
2-[2-(1H-benzimidazol-2-yl)-5-[4-(1H-benzimidazol-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]phenyl]-6-methyl-1H-benzimidazole
CID 59762586
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-(methylamino)pyrrol-3-ol
CID 123675902

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol (CID 135470369) is 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol is C=C(C)Cc1cc(OC)cc(-c2nc3ccccc3[nH]2)c1O.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol?
The InChIKey is XIQZWTWTSJXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11(2)8-12-9-13(22-3)10-14(17(12)21)18-19-15-6-4-5-7-16(15)20-18/h4-7,9-10,21H,1,8H2,2-3H3,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol?
2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol has a molecular weight of 294.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol is sourced from PubChem (CID 135470369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).