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

C18H24Cl2N4O — CID 119871925

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H22N4O.2ClH/c23-17(10-12-8-15-4-5-16(9-12)21-15)22-14-3-1-2-13(11-14)18-19-6-7-20-18;;/h1-3,6-7,11-12,15-16,21H,4-5,8-10H2,(H,19,20)(H,22,23);2*1H
InChIKeyKWVQZOPBTAEBBI-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.78
Rot. Bonds4

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride (PubChem CID 119871925) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
PubChem CID119871925
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H22N4O.2ClH/c23-17(10-12-8-15-4-5-16(9-12)21-15)22-14-3-1-2-13(11-14)18-19-6-7-20-18;;/h1-3,6-7,11-12,15-16,21H,4-5,8-10H2,(H,19,20)(H,22,23);2*1H
InChIKeyKWVQZOPBTAEBBI-UHFFFAOYSA-N
XLogP3.78
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941815
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 119742581
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 119708754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride (CID 119871925) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride is Cl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
The InChIKey is KWVQZOPBTAEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.2ClH/c23-17(10-12-8-15-4-5-16(9-12)21-15)22-14-3-1-2-13(11-14)18-19-6-7-20-18;;/h1-3,6-7,11-12,15-16,21H,4-5,8-10H2,(H,19,20)(H,22,23);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119871925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).