N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

C18H24N4O2 — CID 56667709

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3)c2ccccc21
InChIInChI=1S/C18H24N4O2/c1-11(2)21-15-5-3-4-6-16(15)22(18(21)24)17(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)
InChIKeyWRUHWXYQMLEWKR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.22
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (PubChem CID 56667709) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID56667709
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3)c2ccccc21
InChIInChI=1S/C18H24N4O2/c1-11(2)21-15-5-3-4-6-16(15)22(18(21)24)17(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)
InChIKeyWRUHWXYQMLEWKR-UHFFFAOYSA-N
XLogP2.22
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 66879335
N-[8-[3-[formyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 59641759
3-[3-[(2-oxo-3-propan-2-ylbenzimidazole-1-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]propyl 4-(dimethylcarbamoyloxy)piperidine-1-carboxylate
CID 24992995
N-[(1R,5S)-8-[(2R)-2-hydroxy-3-[methyl-(1-methylimidazol-4-yl)sulfonylamino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 15605606
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 15222651
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
CID 119458117
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
CID 119455463
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide
CID 119459069
8-azabicyclo[3.2.1]octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 70193954
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119458817
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119456064

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (CID 56667709) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3)c2ccccc21.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The InChIKey is WRUHWXYQMLEWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)21-15-5-3-4-6-16(15)22(18(21)24)17(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 56667709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).