[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

C15H14N6O — CID 138806757

IUPAC[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESCn1cncc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C15H14N6O/c1-20-9-16-7-13(20)15-17-4-5-21(15)10-2-3-11-12(6-10)19-14(8-22)18-11/h2-7,9,22H,8H2,1H3,(H,18,19)
InChIKeyGTXKOXUMGURYSI-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.64
Rot. Bonds3

About [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (PubChem CID 138806757) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
PubChem CID138806757
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESCn1cncc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C15H14N6O/c1-20-9-16-7-13(20)15-17-4-5-21(15)10-2-3-11-12(6-10)19-14(8-22)18-11/h2-7,9,22H,8H2,1H3,(H,18,19)
InChIKeyGTXKOXUMGURYSI-UHFFFAOYSA-N
XLogP1.64
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (CID 138806757) is [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is Cn1cncc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The InChIKey is GTXKOXUMGURYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-20-9-16-7-13(20)15-17-4-5-21(15)10-2-3-11-12(6-10)19-14(8-22)18-11/h2-7,9,22H,8H2,1H3,(H,18,19).
What are the key properties of [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol has a molecular weight of 294.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 138806757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).