3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol

C13H18N2O2 — CID 84816333

IUPAC3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
SMILESCC(C)c1nc2ccc(OCCCO)cc2[nH]1
InChIInChI=1S/C13H18N2O2/c1-9(2)13-14-11-5-4-10(8-12(11)15-13)17-7-3-6-16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyFAEKNKWMZAZMRE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.45
Rot. Bonds5

About 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol

3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol (PubChem CID 84816333) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
PubChem CID84816333
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
SMILESCC(C)c1nc2ccc(OCCCO)cc2[nH]1
InChIInChI=1S/C13H18N2O2/c1-9(2)13-14-11-5-4-10(8-12(11)15-13)17-7-3-6-16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyFAEKNKWMZAZMRE-UHFFFAOYSA-N
XLogP2.45
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol (CID 84816333) is 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol is CC(C)c1nc2ccc(OCCCO)cc2[nH]1.
What is the InChIKey of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
The InChIKey is FAEKNKWMZAZMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)13-14-11-5-4-10(8-12(11)15-13)17-7-3-6-16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol is sourced from PubChem (CID 84816333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).