2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride

C19H27Cl2FN4O — CID 119882386

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)CC2CC3CCC(C2)N3)nc2cc(F)ccc21
InChIInChI=1S/C19H25FN4O.2ClH/c1-24-17-5-2-13(20)11-16(17)23-18(24)6-7-21-19(25)10-12-8-14-3-4-15(9-12)22-14;;/h2,5,11-12,14-15,22H,3-4,6-10H2,1H3,(H,21,25);2*1H
InChIKeyOIGDNQCLOVICMY-UHFFFAOYSA-N
MW417.36 g/mol
LogP3.14
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119882386) has the molecular formula C19H27Cl2FN4O and a molecular weight of 417.36 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
PubChem CID119882386
Molecular FormulaC19H27Cl2FN4O
Molecular Weight417.36 g/mol
Exact Mass416.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)CC2CC3CCC(C2)N3)nc2cc(F)ccc21
InChIInChI=1S/C19H25FN4O.2ClH/c1-24-17-5-2-13(20)11-16(17)23-18(24)6-7-21-19(25)10-12-8-14-3-4-15(9-12)22-14;;/h2,5,11-12,14-15,22H,3-4,6-10H2,1H3,(H,21,25);2*1H
InChIKeyOIGDNQCLOVICMY-UHFFFAOYSA-N
XLogP3.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride (CID 119882386) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride is Cl.Cl.Cn1c(CCNC(=O)CC2CC3CCC(C2)N3)nc2cc(F)ccc21.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is OIGDNQCLOVICMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O.2ClH/c1-24-17-5-2-13(20)11-16(17)23-18(24)6-7-21-19(25)10-12-8-14-3-4-15(9-12)22-14;;/h2,5,11-12,14-15,22H,3-4,6-10H2,1H3,(H,21,25);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 417.36 g/mol, XLogP of 3.14, 5 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-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119882386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).