6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol

C21H18N2O — CID 143113223

IUPAC6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol
SMILESCc1ccccc1-n1c(C2=CC=CC=C(O)C2)nc2ccccc21
InChIInChI=1S/C21H18N2O/c1-15-8-2-6-12-19(15)23-20-13-7-5-11-18(20)22-21(23)16-9-3-4-10-17(24)14-16/h2-13,24H,14H2,1H3
InChIKeyMWKBZVINPFIQOG-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.12
Rot. Bonds2

About 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol

6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol (PubChem CID 143113223) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol
PubChem CID143113223
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol
SMILESCc1ccccc1-n1c(C2=CC=CC=C(O)C2)nc2ccccc21
InChIInChI=1S/C21H18N2O/c1-15-8-2-6-12-19(15)23-20-13-7-5-11-18(20)22-21(23)16-9-3-4-10-17(24)14-16/h2-13,24H,14H2,1H3
InChIKeyMWKBZVINPFIQOG-UHFFFAOYSA-N
XLogP5.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol (CID 143113223) is 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol is Cc1ccccc1-n1c(C2=CC=CC=C(O)C2)nc2ccccc21.
What is the InChIKey of 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol?
The InChIKey is MWKBZVINPFIQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15-8-2-6-12-19(15)23-20-13-7-5-11-18(20)22-21(23)16-9-3-4-10-17(24)14-16/h2-13,24H,14H2,1H3.
What are the key properties of 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol?
6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol has a molecular weight of 314.39 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 143113223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).