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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Related Compounds

1-Phenylbenzimidazole deriv. 51
CID 639427
1-Benzyl-2-phenylbenzimidazole
CID 1221687
1-Hydroxy-2-phenylbenzimidazole
CID 606555
1-Benzyl-2-methylbenzimidazole
CID 759305
3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol
CID 2872475
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
Pyrrol-3(2H)-one, 5-amino-1-benzyl)-4-(1-methyl-2-benzimidazolyl)-
CID 135519505
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
1-(4-Methylbenzyl)-2-(4-methylphenyl)-1h-benzimidazole
CID 15552557
2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
CID 735650

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).