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

C15H20N4O — CID 66392438

IUPAC2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCN3CC4CCC(C3)O4)[nH]c2c1
InChIInChI=1S/C15H20N4O/c16-10-1-4-13-14(7-10)18-15(17-13)5-6-19-8-11-2-3-12(9-19)20-11/h1,4,7,11-12H,2-3,5-6,8-9,16H2,(H,17,18)
InChIKeyNCRAKWLTJCALJL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.55
Rot. Bonds3

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

2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine (PubChem CID 66392438) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine
PubChem CID66392438
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCN3CC4CCC(C3)O4)[nH]c2c1
InChIInChI=1S/C15H20N4O/c16-10-1-4-13-14(7-10)18-15(17-13)5-6-19-8-11-2-3-12(9-19)20-11/h1,4,7,11-12H,2-3,5-6,8-9,16H2,(H,17,18)
InChIKeyNCRAKWLTJCALJL-UHFFFAOYSA-N
XLogP1.55
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.55
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-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine
CID 66393782
[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932112
1-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]piperidin-3-ol
CID 43575336
2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine
CID 63604343
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine
CID 114592217
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
CID 3373556
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 43375659
2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-3H-benzimidazol-5-amine
CID 79165590
2-butyl-3H-benzimidazol-5-amine
CID 23301932
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
2-ethyl-3H-benzimidazol-5-amine
CID 3094372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine (CID 66392438) is 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(CCN3CC4CCC(C3)O4)[nH]c2c1.
What is the InChIKey of 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine?
The InChIKey is NCRAKWLTJCALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-10-1-4-13-14(7-10)18-15(17-13)5-6-19-8-11-2-3-12(9-19)20-11/h1,4,7,11-12H,2-3,5-6,8-9,16H2,(H,17,18).
What are the key properties of 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine?
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 66392438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).