4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol

C16H16N2O — CID 136751417

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1cc2nc(-c3ccc(O)c(C)c3)[nH]c2cc1C
InChIInChI=1S/C16H16N2O/c1-9-7-13-14(8-10(9)2)18-16(17-13)12-4-5-15(19)11(3)6-12/h4-8,19H,1-3H3,(H,17,18)
InChIKeyBXDZUDWUZYMYCM-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.86
Rot. Bonds1

About 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol (PubChem CID 136751417) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
PubChem CID136751417
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
SMILESCc1cc2nc(-c3ccc(O)c(C)c3)[nH]c2cc1C
InChIInChI=1S/C16H16N2O/c1-9-7-13-14(8-10(9)2)18-16(17-13)12-4-5-15(19)11(3)6-12/h4-8,19H,1-3H3,(H,17,18)
InChIKeyBXDZUDWUZYMYCM-UHFFFAOYSA-N
XLogP3.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylphenol
CID 136751368
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol (CID 136751417) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol is Cc1cc2nc(-c3ccc(O)c(C)c3)[nH]c2cc1C.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol?
The InChIKey is BXDZUDWUZYMYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-9-7-13-14(8-10(9)2)18-16(17-13)12-4-5-15(19)11(3)6-12/h4-8,19H,1-3H3,(H,17,18).
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol has a molecular weight of 252.32 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 136751417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).