2-(1H-benzimidazol-4-yl)propan-2-ol

C10H12N2O — CID 117277327

IUPAC2-(1H-benzimidazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1cccc2[nH]cnc12
InChIInChI=1S/C10H12N2O/c1-10(2,13)7-4-3-5-8-9(7)12-6-11-8/h3-6,13H,1-2H3,(H,11,12)
InChIKeyUTPOIFBDSZMQGB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.79
Rot. Bonds1

About 2-(1H-benzimidazol-4-yl)propan-2-ol

2-(1H-benzimidazol-4-yl)propan-2-ol (PubChem CID 117277327) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(1H-benzimidazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1H-benzimidazol-4-yl)propan-2-ol
PubChem CID117277327
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(1H-benzimidazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1cccc2[nH]cnc12
InChIInChI=1S/C10H12N2O/c1-10(2,13)7-4-3-5-8-9(7)12-6-11-8/h3-6,13H,1-2H3,(H,11,12)
InChIKeyUTPOIFBDSZMQGB-UHFFFAOYSA-N
XLogP1.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-4-yl)propan-2-ol?
The IUPAC name of 2-(1H-benzimidazol-4-yl)propan-2-ol (CID 117277327) is 2-(1H-benzimidazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(1H-benzimidazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(1H-benzimidazol-4-yl)propan-2-ol is CC(C)(O)c1cccc2[nH]cnc12.
What is the InChIKey of 2-(1H-benzimidazol-4-yl)propan-2-ol?
The InChIKey is UTPOIFBDSZMQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2,13)7-4-3-5-8-9(7)12-6-11-8/h3-6,13H,1-2H3,(H,11,12).
What are the key properties of 2-(1H-benzimidazol-4-yl)propan-2-ol?
2-(1H-benzimidazol-4-yl)propan-2-ol has a molecular weight of 176.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-4-yl)propan-2-ol is sourced from PubChem (CID 117277327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).