2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol

C17H22N4O2 — CID 118864370

IUPAC2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol
SMILESCC(C)CC(N)c1nc2ccc(-c3cnco3)cc2n1CCO
InChIInChI=1S/C17H22N4O2/c1-11(2)7-13(18)17-20-14-4-3-12(16-9-19-10-23-16)8-15(14)21(17)5-6-22/h3-4,8-11,13,22H,5-7,18H2,1-2H3
InChIKeyONXWRMVBVNRCBA-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol

2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol (PubChem CID 118864370) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol
PubChem CID118864370
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol
SMILESCC(C)CC(N)c1nc2ccc(-c3cnco3)cc2n1CCO
InChIInChI=1S/C17H22N4O2/c1-11(2)7-13(18)17-20-14-4-3-12(16-9-19-10-23-16)8-15(14)21(17)5-6-22/h3-4,8-11,13,22H,5-7,18H2,1-2H3
InChIKeyONXWRMVBVNRCBA-UHFFFAOYSA-N
XLogP2.73
TPSA90.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol (CID 118864370) is 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol is CC(C)CC(N)c1nc2ccc(-c3cnco3)cc2n1CCO.
What is the InChIKey of 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol?
The InChIKey is ONXWRMVBVNRCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)7-13(18)17-20-14-4-3-12(16-9-19-10-23-16)8-15(14)21(17)5-6-22/h3-4,8-11,13,22H,5-7,18H2,1-2H3.
What are the key properties of 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol?
2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol has a molecular weight of 314.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 118864370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).