1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid

C14H14N4O3 — CID 80564934

IUPAC1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2cnc[nH]2)c2ccccc21
InChIInChI=1S/C14H14N4O3/c19-13(20)11-7-18(12-4-2-1-3-10(11)12)14(21)16-6-9-5-15-8-17-9/h1-5,8,11H,6-7H2,(H,15,17)(H,16,21)(H,19,20)
InChIKeyFMHMHSJLFONNPQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.31
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid

1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564934) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564934
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2cnc[nH]2)c2ccccc21
InChIInChI=1S/C14H14N4O3/c19-13(20)11-7-18(12-4-2-1-3-10(11)12)14(21)16-6-9-5-15-8-17-9/h1-5,8,11H,6-7H2,(H,15,17)(H,16,21)(H,19,20)
InChIKeyFMHMHSJLFONNPQ-UHFFFAOYSA-N
XLogP1.31
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564934) is 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)NCc2cnc[nH]2)c2ccccc21.
What is the InChIKey of 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is FMHMHSJLFONNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(20)11-7-18(12-4-2-1-3-10(11)12)14(21)16-6-9-5-15-8-17-9/h1-5,8,11H,6-7H2,(H,15,17)(H,16,21)(H,19,20).
What are the key properties of 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).