1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol

C15H17N3O2 — CID 62594347

IUPAC1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCc1ccco1
InChIInChI=1S/C15H17N3O2/c1-10(19)15-17-13-9-11(16)4-5-14(13)18(15)7-6-12-3-2-8-20-12/h2-5,8-10,19H,6-7,16H2,1H3
InChIKeyUBYWHEYTYWPIKJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds4

About 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol

1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 62594347) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
PubChem CID62594347
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCc1ccco1
InChIInChI=1S/C15H17N3O2/c1-10(19)15-17-13-9-11(16)4-5-14(13)18(15)7-6-12-3-2-8-20-12/h2-5,8-10,19H,6-7,16H2,1H3
InChIKeyUBYWHEYTYWPIKJ-UHFFFAOYSA-N
XLogP2.51
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
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-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
CID 106106443
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
1-[5-amino-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62591100
1-[5-amino-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62595654
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330
2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 62377209
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310272
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol (CID 62594347) is 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1CCc1ccco1.
What is the InChIKey of 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is UBYWHEYTYWPIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(19)15-17-13-9-11(16)4-5-14(13)18(15)7-6-12-3-2-8-20-12/h2-5,8-10,19H,6-7,16H2,1H3.
What are the key properties of 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol?
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 271.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62594347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).