N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C18H24N4O2 — CID 167862287

IUPACN-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)NC2CCC3CC2CN3)c2ccccc21
InChIInChI=1S/C18H24N4O2/c1-21-15-4-2-3-5-16(15)22(18(21)24)9-8-17(23)20-14-7-6-13-10-12(14)11-19-13/h2-5,12-14,19H,6-11H2,1H3,(H,20,23)
InChIKeyWDKVRQDIGOBFAA-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.99
Rot. Bonds4

About N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 167862287) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID167862287
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)NC2CCC3CC2CN3)c2ccccc21
InChIInChI=1S/C18H24N4O2/c1-21-15-4-2-3-5-16(15)22(18(21)24)9-8-17(23)20-14-7-6-13-10-12(14)11-19-13/h2-5,12-14,19H,6-11H2,1H3,(H,20,23)
InChIKeyWDKVRQDIGOBFAA-UHFFFAOYSA-N
XLogP0.99
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 167862287) is N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is Cn1c(=O)n(CCC(=O)NC2CCC3CC2CN3)c2ccccc21.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is WDKVRQDIGOBFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-15-4-2-3-5-16(15)22(18(21)24)9-8-17(23)20-14-7-6-13-10-12(14)11-19-13/h2-5,12-14,19H,6-11H2,1H3,(H,20,23).
What are the key properties of N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 167862287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).