ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate

C17H15N3O3 — CID 2536088

IUPACethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H15N3O3/c1-2-23-17(22)12-5-3-4-6-13(12)20-16(21)11-7-8-14-15(9-11)19-10-18-14/h3-10H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyJFCKSQZBZHLVIS-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.99
Rot. Bonds4

About ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate

ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate (PubChem CID 2536088) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate
PubChem CID2536088
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Nameethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H15N3O3/c1-2-23-17(22)12-5-3-4-6-13(12)20-16(21)11-7-8-14-15(9-11)19-10-18-14/h3-10H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyJFCKSQZBZHLVIS-UHFFFAOYSA-N
XLogP2.99
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate?
The IUPAC name of ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate (CID 2536088) is ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate?
The InChIKey is JFCKSQZBZHLVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-23-17(22)12-5-3-4-6-13(12)20-16(21)11-7-8-14-15(9-11)19-10-18-14/h3-10H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate?
ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate has a molecular weight of 309.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3H-benzimidazole-5-carbonylamino)benzoate is sourced from PubChem (CID 2536088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).