N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C12H15N3O2 — CID 110692342

IUPACN-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)15-10(16)7-4-5-8-9(6-7)14-11(17)13-8/h4-6H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyJVJJNZNNQIJOMN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.38
Rot. Bonds1

About N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692342) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692342
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)15-10(16)7-4-5-8-9(6-7)14-11(17)13-8/h4-6H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyJVJJNZNNQIJOMN-UHFFFAOYSA-N
XLogP1.38
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
N-tert-butyl-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111034
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 110776173
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
CID 11148992
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692342) is N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is CC(C)(C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is JVJJNZNNQIJOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)15-10(16)7-4-5-8-9(6-7)14-11(17)13-8/h4-6H,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).