[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate

C14H19N3O3 — CID 175154839

IUPAC[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate
SMILESCC(C)(C)C(Cc1ccc2[nH]c(=O)[nH]c2c1)OC(N)=O
InChIInChI=1S/C14H19N3O3/c1-14(2,3)11(20-12(15)18)7-8-4-5-9-10(6-8)17-13(19)16-9/h4-6,11H,7H2,1-3H3,(H2,15,18)(H2,16,17,19)
InChIKeyQUGPRFIIDKTZES-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds3

About [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate

[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate (PubChem CID 175154839) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate.

Molecular Properties

Compound Name[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate
PubChem CID175154839
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate
SMILESCC(C)(C)C(Cc1ccc2[nH]c(=O)[nH]c2c1)OC(N)=O
InChIInChI=1S/C14H19N3O3/c1-14(2,3)11(20-12(15)18)7-8-4-5-9-10(6-8)17-13(19)16-9/h4-6,11H,7H2,1-3H3,(H2,15,18)(H2,16,17,19)
InChIKeyQUGPRFIIDKTZES-UHFFFAOYSA-N
XLogP1.91
TPSA100.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-aminophenyl)-3,3-dimethylbutan-2-yl] carbamate
CID 67217930
2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116848655
2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116849123
(2S)-2-amino-2-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid;hydrochloride
CID 70619117
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 110776173
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate?
The IUPAC name of [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate (CID 175154839) is [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate.
What is the SMILES notation for [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate?
The canonical SMILES for [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate is CC(C)(C)C(Cc1ccc2[nH]c(=O)[nH]c2c1)OC(N)=O.
What is the InChIKey of [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate?
The InChIKey is QUGPRFIIDKTZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,3)11(20-12(15)18)7-8-4-5-9-10(6-8)17-13(19)16-9/h4-6,11H,7H2,1-3H3,(H2,15,18)(H2,16,17,19).
What are the key properties of [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate?
[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate is sourced from PubChem (CID 175154839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).