2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine

C17H24N4 — CID 83976100

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(C(CN)C2CN3CCC2CC3)nc2ccccc21
InChIInChI=1S/C17H24N4/c1-20-16-5-3-2-4-15(16)19-17(20)13(10-18)14-11-21-8-6-12(14)7-9-21/h2-5,12-14H,6-11,18H2,1H3
InChIKeyGIKHCVUUKHUSJE-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.96
Rot. Bonds3

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine

2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 83976100) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID83976100
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(C(CN)C2CN3CCC2CC3)nc2ccccc21
InChIInChI=1S/C17H24N4/c1-20-16-5-3-2-4-15(16)19-17(20)13(10-18)14-11-21-8-6-12(14)7-9-21/h2-5,12-14H,6-11,18H2,1H3
InChIKeyGIKHCVUUKHUSJE-UHFFFAOYSA-N
XLogP1.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-azabicyclo[2.2.2]octan-3-yl)-1-(1-methylbenzimidazol-2-yl)ethanone
CID 139905684
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine
CID 62536351
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
CID 125436765
2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64928260
(3S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 28950125
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
CID 75383078
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
CID 83976113

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 83976100) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine is Cn1c(C(CN)C2CN3CCC2CC3)nc2ccccc21.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is GIKHCVUUKHUSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-16-5-3-2-4-15(16)19-17(20)13(10-18)14-11-21-8-6-12(14)7-9-21/h2-5,12-14H,6-11,18H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 83976100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).