2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol

C18H20N2O — CID 167259464

IUPAC2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
SMILESCCC(C)c1ccc(-c2nc3ccc(O)cc3[nH]2)c(C)c1
InChIInChI=1S/C18H20N2O/c1-4-11(2)13-5-7-15(12(3)9-13)18-19-16-8-6-14(21)10-17(16)20-18/h5-11,21H,4H2,1-3H3,(H,19,20)
InChIKeyIMEIXCBJPPOECU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.76
Rot. Bonds3

About 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol

2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol (PubChem CID 167259464) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
PubChem CID167259464
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
SMILESCCC(C)c1ccc(-c2nc3ccc(O)cc3[nH]2)c(C)c1
InChIInChI=1S/C18H20N2O/c1-4-11(2)13-5-7-15(12(3)9-13)18-19-16-8-6-14(21)10-17(16)20-18/h5-11,21H,4H2,1-3H3,(H,19,20)
InChIKeyIMEIXCBJPPOECU-UHFFFAOYSA-N
XLogP4.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol (CID 167259464) is 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol is CCC(C)c1ccc(-c2nc3ccc(O)cc3[nH]2)c(C)c1.
What is the InChIKey of 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol?
The InChIKey is IMEIXCBJPPOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-11(2)13-5-7-15(12(3)9-13)18-19-16-8-6-14(21)10-17(16)20-18/h5-11,21H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol?
2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol has a molecular weight of 280.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 167259464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).