ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate

C14H16N4O5 — CID 139224349

IUPACethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)n1c(NC(=O)OC)nc2ccccc21
InChIInChI=1S/C14H16N4O5/c1-3-23-11(19)8-15-13(20)18-10-7-5-4-6-9(10)16-12(18)17-14(21)22-2/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,17,21)
InChIKeyZVGYBUOOYLXGHU-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.34
Rot. Bonds4

About ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate

ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate (PubChem CID 139224349) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate
PubChem CID139224349
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Nameethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)n1c(NC(=O)OC)nc2ccccc21
InChIInChI=1S/C14H16N4O5/c1-3-23-11(19)8-15-13(20)18-10-7-5-4-6-9(10)16-12(18)17-14(21)22-2/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,17,21)
InChIKeyZVGYBUOOYLXGHU-UHFFFAOYSA-N
XLogP1.34
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
CID 640772
methyl N-[1-(5-aminopentylcarbamoyl)benzimidazol-2-yl]carbamate
CID 70848441
ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;methyl N-(1H-benzimidazol-2-yl)carbamate;methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
CID 87339867
1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
CID 18948009
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate
CID 141483095
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
CID 67762400
(3,4-dimethylphenyl) 2-(methoxycarbonylamino)benzimidazole-1-carboximidate
CID 54558121
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
tert-butyl 2-[3-[(3-ethoxy-3-oxopropyl)amino]-3-oxopropyl]benzimidazole-1-carboxylate
CID 70820607
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate (CID 139224349) is ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)n1c(NC(=O)OC)nc2ccccc21.
What is the InChIKey of ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate?
The InChIKey is ZVGYBUOOYLXGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-3-23-11(19)8-15-13(20)18-10-7-5-4-6-9(10)16-12(18)17-14(21)22-2/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,17,21).
What are the key properties of ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate?
ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate has a molecular weight of 320.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate is sourced from PubChem (CID 139224349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).