N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide

C21H30N4O2 — CID 70253147

IUPACN-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCCC(=O)NC1CC2CCC(C1)N2CCCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C21H30N4O2/c1-3-20(26)22-15-13-16-9-10-17(14-15)24(16)11-6-12-25-19-8-5-4-7-18(19)23(2)21(25)27/h4-5,7-8,15-17H,3,6,9-14H2,1-2H3,(H,22,26)
InChIKeyKAIPZPILNMGHAE-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.25
Rot. Bonds6

About N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide

N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide (PubChem CID 70253147) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide.

Molecular Properties

Compound NameN-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide
PubChem CID70253147
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCCC(=O)NC1CC2CCC(C1)N2CCCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C21H30N4O2/c1-3-20(26)22-15-13-16-9-10-17(14-15)24(16)11-6-12-25-19-8-5-4-7-18(19)23(2)21(25)27/h4-5,7-8,15-17H,3,6,9-14H2,1-2H3,(H,22,26)
InChIKeyKAIPZPILNMGHAE-UHFFFAOYSA-N
XLogP2.25
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The IUPAC name of N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide (CID 70253147) is N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide.
What is the SMILES notation for N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The canonical SMILES for N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide is CCC(=O)NC1CC2CCC(C1)N2CCCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The InChIKey is KAIPZPILNMGHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-20(26)22-15-13-16-9-10-17(14-15)24(16)11-6-12-25-19-8-5-4-7-18(19)23(2)21(25)27/h4-5,7-8,15-17H,3,6,9-14H2,1-2H3,(H,22,26).
What are the key properties of N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide is sourced from PubChem (CID 70253147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).