2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol

C14H11ClN2O — CID 135988298

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
SMILESCc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1O
InChIInChI=1S/C14H11ClN2O/c1-8-3-2-4-10(13(8)18)14-16-11-6-5-9(15)7-12(11)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyVIFGEAGVLKMFTI-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.90
Rot. Bonds1

About 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol

2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol (PubChem CID 135988298) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
PubChem CID135988298
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
SMILESCc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1O
InChIInChI=1S/C14H11ClN2O/c1-8-3-2-4-10(13(8)18)14-16-11-6-5-9(15)7-12(11)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyVIFGEAGVLKMFTI-UHFFFAOYSA-N
XLogP3.90
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide
CID 135501618
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
2-(4,5-difluoro-1H-benzimidazol-2-yl)-6-methylphenol
CID 136926473
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol (CID 135988298) is 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol is Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1O.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol?
The InChIKey is VIFGEAGVLKMFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-3-2-4-10(13(8)18)14-16-11-6-5-9(15)7-12(11)17-14/h2-7,18H,1H3,(H,16,17).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol?
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol has a molecular weight of 258.71 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol is sourced from PubChem (CID 135988298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).