N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

C12H18N4O2 — CID 61232582

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H18N4O2/c1-16(11(17)10-6-13-12(18)15-10)9-4-7-2-3-8(5-9)14-7/h6-9,14H,2-5H2,1H3,(H2,13,15,18)
InChIKeyFYQAYPYVOXPJKS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.06
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 61232582) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID61232582
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H18N4O2/c1-16(11(17)10-6-13-12(18)15-10)9-4-7-2-3-8(5-9)14-7/h6-9,14H,2-5H2,1H3,(H2,13,15,18)
InChIKeyFYQAYPYVOXPJKS-UHFFFAOYSA-N
XLogP0.06
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 61232582) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CN(C(=O)c1c[nH]c(=O)[nH]1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is FYQAYPYVOXPJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(11(17)10-6-13-12(18)15-10)9-4-7-2-3-8(5-9)14-7/h6-9,14H,2-5H2,1H3,(H2,13,15,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 61232582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).