2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium

C10H13N4O2+ — CID 7008854

IUPAC2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium
SMILES[NH3+]CCOC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N4O2/c11-5-6-16-10(15)14-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6,11H2,(H2,12,13,14,15)/p+1
InChIKeyFSFVFDSQYXRQBH-UHFFFAOYSA-O
MW221.24 g/mol
LogP0.35
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium

2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium (PubChem CID 7008854) has the molecular formula C10H13N4O2+ and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium
PubChem CID7008854
Molecular FormulaC10H13N4O2+
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium
SMILES[NH3+]CCOC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N4O2/c11-5-6-16-10(15)14-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6,11H2,(H2,12,13,14,15)/p+1
InChIKeyFSFVFDSQYXRQBH-UHFFFAOYSA-O
XLogP0.35
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
CID 139747232
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
CID 175010873
butyl 2-(1H-benzimidazol-2-ylcarbamoylamino)acetate
CID 21405106
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium?
The IUPAC name of 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium (CID 7008854) is 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium?
The canonical SMILES for 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium is [NH3+]CCOC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium?
The InChIKey is FSFVFDSQYXRQBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N4O2/c11-5-6-16-10(15)14-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6,11H2,(H2,12,13,14,15)/p+1.
What are the key properties of 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium?
2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium has a molecular weight of 221.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium is sourced from PubChem (CID 7008854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).