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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Related Compounds

Brd4770
CID 72193870
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
5-Benzimidazolecarboxylic acid
CID 459456
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
methyl 2-[(ethylcarbamoyl)amino]-5-(pyridin-3-yl)-1H-1,3-benzodiazole-7-carboxylate
CID 9840840
methyl 4-(6-(diisopentylcarbamoyl)-1-(3-(piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2-ylamino)benzoate
CID 44432941
tert-butyl 2-(4-(5-(methylcarbamoyl)-1H-benzo[d]imidazol-1-yl)phenyl)acetate
CID 138377545
N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 16279719
1H-benzimidazole-4-carboxylic acid
CID 2771758
Methyl 4-{2-[(6-Amino-8-Oxo-7,8-Dihydro-1h-Imidazo[4,5-G]quinazolin-2-Yl)amino]ethyl}benzoate
CID 135566932
Methyl 4-(benzimidazol-1-yl)benzoate
CID 5328451
1H-Benzimidazole-4-carboxylic acid quinuclidine-3-yl ester
CID 5223337

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).