N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

C23H34FN5O — CID 169215658

IUPACN-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCCc1cc(F)cc2[nH]c(CN3CCC4CCC3CN4CC(=O)NC(C)(C)C)nc12
InChIInChI=1S/C23H34FN5O/c1-5-15-10-16(24)11-19-22(15)26-20(25-19)13-28-9-8-17-6-7-18(28)12-29(17)14-21(30)27-23(2,3)4/h10-11,17-18H,5-9,12-14H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyZXVCGUJCDSGYKQ-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.22
Rot. Bonds5

About N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (PubChem CID 169215658) has the molecular formula C23H34FN5O and a molecular weight of 415.56 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
PubChem CID169215658
Molecular FormulaC23H34FN5O
Molecular Weight415.56 g/mol
Exact Mass415.27
IUPAC NameN-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCCc1cc(F)cc2[nH]c(CN3CCC4CCC3CN4CC(=O)NC(C)(C)C)nc12
InChIInChI=1S/C23H34FN5O/c1-5-15-10-16(24)11-19-22(15)26-20(25-19)13-28-9-8-17-6-7-18(28)12-29(17)14-21(30)27-23(2,3)4/h10-11,17-18H,5-9,12-14H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyZXVCGUJCDSGYKQ-UHFFFAOYSA-N
XLogP3.22
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide with MolForge

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Related Compounds

N-tert-butyl-2-[3-[(4-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide
CID 169215895
N-tert-butyl-2-[3-[1-(4-chloro-6-fluoro-1H-benzimidazol-2-yl)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide
CID 169215620
4-[4-[(4,6-difluoro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]benzoic acid
CID 167868713
2-[(1S,4S)-5-[2-(tert-butylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 170266925
N-tert-butyl-2-[4-(7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-2-ylmethyl)piperidin-1-yl]acetamide
CID 118554447
2-[[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-6-fluoro-4-methyl-1H-benzimidazole
CID 169215587
N-tert-butyl-2-[(1S,5R)-3-[(4,5-diethoxy-1H-benzimidazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 130191231
N-[2-[3-[(6-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]-2,2-dimethylpropanamide
CID 169215769
N-tert-butyl-2-[3-[[7-(difluoromethoxy)-4-fluoro-1H-benzimidazol-2-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 169215780
N-tert-butyl-2-[3-[(4-chloro-7-methoxy-1H-benzimidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 169215764
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436069

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (CID 169215658) is N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is CCc1cc(F)cc2[nH]c(CN3CCC4CCC3CN4CC(=O)NC(C)(C)C)nc12.
What is the InChIKey of N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The InChIKey is ZXVCGUJCDSGYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN5O/c1-5-15-10-16(24)11-19-22(15)26-20(25-19)13-28-9-8-17-6-7-18(28)12-29(17)14-21(30)27-23(2,3)4/h10-11,17-18H,5-9,12-14H2,1-4H3,(H,25,26)(H,27,30).
What are the key properties of N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[(4-ethyl-6-fluoro-1H-benzimidazol-2-yl)methyl]-2,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is sourced from PubChem (CID 169215658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).