N-(2-ethylbenzimidazol-2-yl)carbamate

C10H10N3O2- — CID 21389831

IUPACN-(2-ethylbenzimidazol-2-yl)carbamate
SMILESCCC1(NC(=O)[O-])N=c2ccccc2=N1
InChIInChI=1S/C10H11N3O2/c1-2-10(13-9(14)15)11-7-5-3-4-6-8(7)12-10/h3-6,13H,2H2,1H3,(H,14,15)/p-1
InChIKeyVCSKKGNMHACFLD-UHFFFAOYSA-M
MW204.21 g/mol
LogP-1.06
Rot. Bonds2

About N-(2-ethylbenzimidazol-2-yl)carbamate

N-(2-ethylbenzimidazol-2-yl)carbamate (PubChem CID 21389831) has the molecular formula C10H10N3O2- and a molecular weight of 204.21 g/mol. Its IUPAC name is N-(2-ethylbenzimidazol-2-yl)carbamate.

Molecular Properties

Compound NameN-(2-ethylbenzimidazol-2-yl)carbamate
PubChem CID21389831
Molecular FormulaC10H10N3O2-
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC NameN-(2-ethylbenzimidazol-2-yl)carbamate
SMILESCCC1(NC(=O)[O-])N=c2ccccc2=N1
InChIInChI=1S/C10H11N3O2/c1-2-10(13-9(14)15)11-7-5-3-4-6-8(7)12-10/h3-6,13H,2H2,1H3,(H,14,15)/p-1
InChIKeyVCSKKGNMHACFLD-UHFFFAOYSA-M
XLogP-1.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride
CID 70580441
N-[2-(butylcarbamoyl)-4-methylbenzimidazol-2-yl]carbamate
CID 18766597
2-undecylbenzimidazole-2-carboxylic acid
CID 150823870
[2-[butyl(methyl)carbamoyl]benzimidazol-2-yl]carbamic acid
CID 22754365
methyl 2-oxo-5,5-diphenylpentanoate
CID 18371006
phenyltin(3+);propanoate
CID 157164859
copper(1+);2,2-dimethylbenzimidazole;perchlorate
CID 11472353
zinc;phenol;propanoate
CID 174753936
dimethyl (E)-2,3-bis[dimethyl(phenyl)silyl]but-2-enedioate
CID 101127569
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
azanium;ethanol;benzoate
CID 158099559
N-benzylcarbamate;trimethylazanium
CID 66870081

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbenzimidazol-2-yl)carbamate?
The IUPAC name of N-(2-ethylbenzimidazol-2-yl)carbamate (CID 21389831) is N-(2-ethylbenzimidazol-2-yl)carbamate.
What is the SMILES notation for N-(2-ethylbenzimidazol-2-yl)carbamate?
The canonical SMILES for N-(2-ethylbenzimidazol-2-yl)carbamate is CCC1(NC(=O)[O-])N=c2ccccc2=N1.
What is the InChIKey of N-(2-ethylbenzimidazol-2-yl)carbamate?
The InChIKey is VCSKKGNMHACFLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11N3O2/c1-2-10(13-9(14)15)11-7-5-3-4-6-8(7)12-10/h3-6,13H,2H2,1H3,(H,14,15)/p-1.
What are the key properties of N-(2-ethylbenzimidazol-2-yl)carbamate?
N-(2-ethylbenzimidazol-2-yl)carbamate has a molecular weight of 204.21 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbenzimidazol-2-yl)carbamate is sourced from PubChem (CID 21389831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).