4-(3-methylbenzo[e]benzimidazol-2-yl)phenol

C18H14N2O — CID 135727095

IUPAC4-(3-methylbenzo[e]benzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(O)cc2)nc2c3ccccc3ccc21
InChIInChI=1S/C18H14N2O/c1-20-16-11-8-12-4-2-3-5-15(12)17(16)19-18(20)13-6-9-14(21)10-7-13/h2-11,21H,1H3
InChIKeyCLFQBYACSGWEOG-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.10
Rot. Bonds1

About 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol

4-(3-methylbenzo[e]benzimidazol-2-yl)phenol (PubChem CID 135727095) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(3-methylbenzo[e]benzimidazol-2-yl)phenol
PubChem CID135727095
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(3-methylbenzo[e]benzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(O)cc2)nc2c3ccccc3ccc21
InChIInChI=1S/C18H14N2O/c1-20-16-11-8-12-4-2-3-5-15(12)17(16)19-18(20)13-6-9-14(21)10-7-13/h2-11,21H,1H3
InChIKeyCLFQBYACSGWEOG-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol?
The IUPAC name of 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol (CID 135727095) is 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol.
What is the SMILES notation for 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol?
The canonical SMILES for 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol is Cn1c(-c2ccc(O)cc2)nc2c3ccccc3ccc21.
What is the InChIKey of 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol?
The InChIKey is CLFQBYACSGWEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-20-16-11-8-12-4-2-3-5-15(12)17(16)19-18(20)13-6-9-14(21)10-7-13/h2-11,21H,1H3.
What are the key properties of 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol?
4-(3-methylbenzo[e]benzimidazol-2-yl)phenol has a molecular weight of 274.32 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbenzo[e]benzimidazol-2-yl)phenol is sourced from PubChem (CID 135727095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).