[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol

C12H12N4O2 — CID 81174050

IUPAC[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2Cc1ccon1
InChIInChI=1S/C12H12N4O2/c13-8-1-2-11-10(5-8)14-12(7-17)16(11)6-9-3-4-18-15-9/h1-5,17H,6-7,13H2
InChIKeyVYJYKMINLKRBEP-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.15
Rot. Bonds3

About [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol

[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol (PubChem CID 81174050) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol
PubChem CID81174050
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2Cc1ccon1
InChIInChI=1S/C12H12N4O2/c13-8-1-2-11-10(5-8)14-12(7-17)16(11)6-9-3-4-18-15-9/h1-5,17H,6-7,13H2
InChIKeyVYJYKMINLKRBEP-UHFFFAOYSA-N
XLogP1.15
TPSA90.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176745
5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81178042
3-[[2-(chloromethyl)-5-iodobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81177416
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol
CID 62594326
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
CID 55091658
3-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176870
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594707
[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol
CID 103587462
5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 103593049

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol (CID 81174050) is [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol is Nc1ccc2c(c1)nc(CO)n2Cc1ccon1.
What is the InChIKey of [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol?
The InChIKey is VYJYKMINLKRBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-8-1-2-11-10(5-8)14-12(7-17)16(11)6-9-3-4-18-15-9/h1-5,17H,6-7,13H2.
What are the key properties of [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol?
[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol has a molecular weight of 244.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 81174050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).