ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate

C12H13N3O4 — CID 640772

IUPACethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
SMILESCCOC(=O)n1c(NC(=O)OC)nc2ccccc21
InChIInChI=1S/C12H13N3O4/c1-3-19-12(17)15-9-7-5-4-6-8(9)13-10(15)14-11(16)18-2/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyOABCPBLFAMAZBI-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.22
Rot. Bonds2

About ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate

ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate (PubChem CID 640772) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
PubChem CID640772
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Nameethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
SMILESCCOC(=O)n1c(NC(=O)OC)nc2ccccc21
InChIInChI=1S/C12H13N3O4/c1-3-19-12(17)15-9-7-5-4-6-8(9)13-10(15)14-11(16)18-2/h4-7H,3H2,1-2H3,(H,13,14,16)
InChIKeyOABCPBLFAMAZBI-UHFFFAOYSA-N
XLogP2.22
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate
CID 139224349
methyl N-[1-(5-aminopentylcarbamoyl)benzimidazol-2-yl]carbamate
CID 70848441
(3,4-dimethylphenyl) 2-(methoxycarbonylamino)benzimidazole-1-carboximidate
CID 54558121
ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;methyl N-(1H-benzimidazol-2-yl)carbamate;methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
CID 87339867
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
1-ethoxyethyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
CID 18948009
(2-methoxy-4-prop-2-enylphenyl) 2-(ethoxycarbonylamino)benzimidazole-1-carboximidate
CID 54161815
tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate
CID 141483095
[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
CID 156529117
(2R)-2-(1-ethoxycarbonylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 40533709
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate?
The IUPAC name of ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate (CID 640772) is ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate is CCOC(=O)n1c(NC(=O)OC)nc2ccccc21.
What is the InChIKey of ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate?
The InChIKey is OABCPBLFAMAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-3-19-12(17)15-9-7-5-4-6-8(9)13-10(15)14-11(16)18-2/h4-7H,3H2,1-2H3,(H,13,14,16).
What are the key properties of ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate?
ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate is sourced from PubChem (CID 640772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).