4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide

C18H25N3O2 — CID 78387009

IUPAC4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC3NC(=O)NC3C2)cc1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)12-6-4-11(5-7-12)16(22)19-13-8-9-14-15(10-13)21-17(23)20-14/h4-7,13-15H,8-10H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyDJSYNKUKXRLASZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.32
Rot. Bonds2

About 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide

4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide (PubChem CID 78387009) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide
PubChem CID78387009
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC3NC(=O)NC3C2)cc1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)12-6-4-11(5-7-12)16(22)19-13-8-9-14-15(10-13)21-17(23)20-14/h4-7,13-15H,8-10H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyDJSYNKUKXRLASZ-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide with MolForge

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Related Compounds

4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280461
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120516012
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide
CID 75279813
4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 3217980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide (CID 78387009) is 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide is CC(C)(C)c1ccc(C(=O)NC2CCC3NC(=O)NC3C2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide?
The InChIKey is DJSYNKUKXRLASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)12-6-4-11(5-7-12)16(22)19-13-8-9-14-15(10-13)21-17(23)20-14/h4-7,13-15H,8-10H2,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide?
4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 78387009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).