2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride

C21H30Cl2N4O — CID 119898680

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C21H28N4O.2ClH/c26-21(14-17-12-18-6-7-19(13-17)24-18)23-15-20-22-9-11-25(20)10-8-16-4-2-1-3-5-16;;/h1-5,9,11,17-19,24H,6-8,10,12-15H2,(H,23,26);2*1H
InChIKeyMJPGWQBFKWAHCU-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.51
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride (PubChem CID 119898680) has the molecular formula C21H30Cl2N4O and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
PubChem CID119898680
Molecular FormulaC21H30Cl2N4O
Molecular Weight425.40 g/mol
Exact Mass424.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C21H28N4O.2ClH/c26-21(14-17-12-18-6-7-19(13-17)24-18)23-15-20-22-9-11-25(20)10-8-16-4-2-1-3-5-16;;/h1-5,9,11,17-19,24H,6-8,10,12-15H2,(H,23,26);2*1H
InChIKeyMJPGWQBFKWAHCU-UHFFFAOYSA-N
XLogP3.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119892634
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 119739831
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide
CID 119762770

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride (CID 119898680) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CC1CC2CCC(C1)N2)NCc1nccn1CCc1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
The InChIKey is MJPGWQBFKWAHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.2ClH/c26-21(14-17-12-18-6-7-19(13-17)24-18)23-15-20-22-9-11-25(20)10-8-16-4-2-1-3-5-16;;/h1-5,9,11,17-19,24H,6-8,10,12-15H2,(H,23,26);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride has a molecular weight of 425.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119898680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).