[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol

C17H23N3O — CID 62596554

IUPAC[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol
SMILESCC(C1CC2CCC1C2)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C17H23N3O/c1-10(14-7-11-2-3-12(14)6-11)20-16-5-4-13(18)8-15(16)19-17(20)9-21/h4-5,8,10-12,14,21H,2-3,6-7,9,18H2,1H3
InChIKeyWPUYUDOERWIJSZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds3

About [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol

[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol (PubChem CID 62596554) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol
PubChem CID62596554
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol
SMILESCC(C1CC2CCC1C2)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C17H23N3O/c1-10(14-7-11-2-3-12(14)6-11)20-16-5-4-13(18)8-15(16)19-17(20)9-21/h4-5,8,10-12,14,21H,2-3,6-7,9,18H2,1H3
InChIKeyWPUYUDOERWIJSZ-UHFFFAOYSA-N
XLogP3.11
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole
CID 43666180
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
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[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
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467
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-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol
CID 62595107
1-(1-cyclopropylethyl)-2-methylbenzimidazol-5-amine
CID 62507037
[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-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol (CID 62596554) is [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol is CC(C1CC2CCC1C2)n1c(CO)nc2cc(N)ccc21.
What is the InChIKey of [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol?
The InChIKey is WPUYUDOERWIJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10(14-7-11-2-3-12(14)6-11)20-16-5-4-13(18)8-15(16)19-17(20)9-21/h4-5,8,10-12,14,21H,2-3,6-7,9,18H2,1H3.
What are the key properties of [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol?
[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 62596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).