2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine

C14H18N4O — CID 66393782

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CN3CC4CCC(C3)O4)[nH]c2c1
InChIInChI=1S/C14H18N4O/c15-9-1-4-12-13(5-9)17-14(16-12)8-18-6-10-2-3-11(7-18)19-10/h1,4-5,10-11H,2-3,6-8,15H2,(H,16,17)
InChIKeyAEEZAKUBQIUZQL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.51
Rot. Bonds2

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 66393782) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID66393782
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CN3CC4CCC(C3)O4)[nH]c2c1
InChIInChI=1S/C14H18N4O/c15-9-1-4-12-13(5-9)17-14(16-12)8-18-6-10-2-3-11(7-18)19-10/h1,4-5,10-11H,2-3,6-8,15H2,(H,16,17)
InChIKeyAEEZAKUBQIUZQL-UHFFFAOYSA-N
XLogP1.51
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.51
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

2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine
CID 66392438
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 43375659
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-3H-benzimidazol-5-amine
CID 79165590
2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 102956438
2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine
CID 102742944
2-(1,4-thiazepan-4-ylmethyl)-3H-benzimidazol-5-amine
CID 61418378
2-[(4,4-dimethylazepan-1-yl)methyl]-3H-benzimidazol-5-amine
CID 65283216
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-amine
CID 93391422
[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932112
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 114461907
2-ethyl-3H-benzimidazol-5-amine
CID 3094372

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine (CID 66393782) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(CN3CC4CCC(C3)O4)[nH]c2c1.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is AEEZAKUBQIUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-9-1-4-12-13(5-9)17-14(16-12)8-18-6-10-2-3-11(7-18)19-10/h1,4-5,10-11H,2-3,6-8,15H2,(H,16,17).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 66393782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).