N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide

C14H14N4O2 — CID 102712481

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCCc3cnc[nH]3)cc2N1
InChIInChI=1S/C14H14N4O2/c19-13-6-9-1-2-10(5-12(9)18-13)14(20)16-4-3-11-7-15-8-17-11/h1-2,5,7-8H,3-4,6H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyYIWSFYRKLNTLOO-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.88
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712481) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712481
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)NCCc3cnc[nH]3)cc2N1
InChIInChI=1S/C14H14N4O2/c19-13-6-9-1-2-10(5-12(9)18-13)14(20)16-4-3-11-7-15-8-17-11/h1-2,5,7-8H,3-4,6H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyYIWSFYRKLNTLOO-UHFFFAOYSA-N
XLogP0.88
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712481) is N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)NCCc3cnc[nH]3)cc2N1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is YIWSFYRKLNTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-13-6-9-1-2-10(5-12(9)18-13)14(20)16-4-3-11-7-15-8-17-11/h1-2,5,7-8H,3-4,6H2,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).