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

C21H30FN5O — CID 169215769

IUPACN-[2-[3-[(6-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1cc(F)cc2[nH]c(CN3CC4CC(C3)N4CCNC(=O)C(C)(C)C)nc12
InChIInChI=1S/C21H30FN5O/c1-13-7-14(22)8-17-19(13)25-18(24-17)12-26-10-15-9-16(11-26)27(15)6-5-23-20(28)21(2,3)4/h7-8,15-16H,5-6,9-12H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyXFQYRNOSAPYBFH-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.43
Rot. Bonds5

About 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

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 (PubChem CID 169215769) has the molecular formula C21H30FN5O and a molecular weight of 387.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-[3-[(6-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID169215769
Molecular FormulaC21H30FN5O
Molecular Weight387.50 g/mol
Exact Mass387.24
IUPAC NameN-[2-[3-[(6-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1cc(F)cc2[nH]c(CN3CC4CC(C3)N4CCNC(=O)C(C)(C)C)nc12
InChIInChI=1S/C21H30FN5O/c1-13-7-14(22)8-17-19(13)25-18(24-17)12-26-10-15-9-16(11-26)27(15)6-5-23-20(28)21(2,3)4/h7-8,15-16H,5-6,9-12H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyXFQYRNOSAPYBFH-UHFFFAOYSA-N
XLogP2.43
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[3-[(4-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]acetamide
CID 169215895
4-chloro-2-[[8-(2-cyclopentylethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-6-fluoro-1H-benzimidazole
CID 169215609
4-chloro-6-fluoro-2-[[6-(oxan-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]-1H-benzimidazole
CID 169215717
(1-methylcyclopropyl) 2-[3-[(4-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetate
CID 169215969
4-chloro-6-fluoro-2-[[6-[(4-methyloxan-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]-1H-benzimidazole
CID 169215932
2-[3-[(7-fluoro-4-methyl-1H-benzimidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[3-(trifluoromethyl)oxetan-3-yl]acetamide
CID 169215860
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
N-tert-butyl-2-[3-[(4-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 169215853
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
6-fluoro-2,4-dimethyl-1H-benzimidazole
CID 139406139
molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 158153397

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)cc2[nH]c(CN3CC4CC(C3)N4CCNC(=O)C(C)(C)C)nc12.
What is the InChIKey of 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?
The InChIKey is XFQYRNOSAPYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O/c1-13-7-14(22)8-17-19(13)25-18(24-17)12-26-10-15-9-16(11-26)27(15)6-5-23-20(28)21(2,3)4/h7-8,15-16H,5-6,9-12H2,1-4H3,(H,23,28)(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 387.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169215769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).