2-(1-methylbenzimidazol-2-yl)phenol

C28H24N4O2 — CID 139198195

IUPAC2-(1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccccc2O)nc2ccccc21.Cn1c(-c2ccccc2O)nc2ccccc21
InChIInChI=1S/2C14H12N2O/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17/h2*2-9,17H,1H3
InChIKeyZDBCTIBIDGEPCE-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.89
Rot. Bonds2

About 2-(1-methylbenzimidazol-2-yl)phenol

2-(1-methylbenzimidazol-2-yl)phenol (PubChem CID 139198195) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)phenol
PubChem CID139198195
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name2-(1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccccc2O)nc2ccccc21.Cn1c(-c2ccccc2O)nc2ccccc21
InChIInChI=1S/2C14H12N2O/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17/h2*2-9,17H,1H3
InChIKeyZDBCTIBIDGEPCE-UHFFFAOYSA-N
XLogP5.89
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)phenol (CID 139198195) is 2-(1-methylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)phenol is Cn1c(-c2ccccc2O)nc2ccccc21.Cn1c(-c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)phenol?
The InChIKey is ZDBCTIBIDGEPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O/c2*1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17/h2*2-9,17H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)phenol?
2-(1-methylbenzimidazol-2-yl)phenol has a molecular weight of 448.53 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 139198195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).