[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol

C16H19N3O2 — CID 62595107

IUPAC[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol
SMILESCc1cc(C(C)n2c(CO)nc3cc(N)ccc32)c(C)o1
InChIInChI=1S/C16H19N3O2/c1-9-6-13(11(3)21-9)10(2)19-15-5-4-12(17)7-14(15)18-16(19)8-20/h4-7,10,20H,8,17H2,1-3H3
InChIKeyWXSREKLVSYCJMB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.93
Rot. Bonds3

About [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol

[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol (PubChem CID 62595107) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol
PubChem CID62595107
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol
SMILESCc1cc(C(C)n2c(CO)nc3cc(N)ccc32)c(C)o1
InChIInChI=1S/C16H19N3O2/c1-9-6-13(11(3)21-9)10(2)19-15-5-4-12(17)7-14(15)18-16(19)8-20/h4-7,10,20H,8,17H2,1-3H3
InChIKeyWXSREKLVSYCJMB-UHFFFAOYSA-N
XLogP2.93
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508571
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
CID 63011474
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-3-methoxypropan-1-ol
CID 114155636
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol
CID 106162666
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 62594171
[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol
CID 62596554
2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
CID 62506379
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol (CID 62595107) is [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol is Cc1cc(C(C)n2c(CO)nc3cc(N)ccc32)c(C)o1.
What is the InChIKey of [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol?
The InChIKey is WXSREKLVSYCJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-6-13(11(3)21-9)10(2)19-15-5-4-12(17)7-14(15)18-16(19)8-20/h4-7,10,20H,8,17H2,1-3H3.
What are the key properties of [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol?
[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol has a molecular weight of 285.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 62595107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).