N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

C14H19N3O2 — CID 110765410

IUPACN-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)15-12(18)9-6-7-10-11(8-9)17(5)13(19)16(10)4/h6-8H,1-5H3,(H,15,18)
InChIKeyNDNMJPDYCAWNQK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.41
Rot. Bonds1

About N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (PubChem CID 110765410) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
PubChem CID110765410
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)15-12(18)9-6-7-10-11(8-9)17(5)13(19)16(10)4/h6-8H,1-5H3,(H,15,18)
InChIKeyNDNMJPDYCAWNQK-UHFFFAOYSA-N
XLogP1.41
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoacetate
CID 112616455
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765482
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
5-[(2S)-2-chloropropanoyl]-1,3-dimethylbenzimidazol-2-one
CID 42157586
1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
CID 82498508
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one
CID 107176513
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (CID 110765410) is N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is Cn1c(=O)n(C)c2cc(C(=O)NC(C)(C)C)ccc21.
What is the InChIKey of N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The InChIKey is NDNMJPDYCAWNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)15-12(18)9-6-7-10-11(8-9)17(5)13(19)16(10)4/h6-8H,1-5H3,(H,15,18).
What are the key properties of N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 110765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).