N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C14H22N4O2 — CID 50964290

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2cnc[nH]2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-10(2)7-18-8-11(5-13(18)19)14(20)16-4-3-12-6-15-9-17-12/h6,9-11H,3-5,7-8H2,1-2H3,(H,15,17)(H,16,20)
InChIKeyDXDISLDESDLOON-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.57
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50964290) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50964290
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2cnc[nH]2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-10(2)7-18-8-11(5-13(18)19)14(20)16-4-3-12-6-15-9-17-12/h6,9-11H,3-5,7-8H2,1-2H3,(H,15,17)(H,16,20)
InChIKeyDXDISLDESDLOON-UHFFFAOYSA-N
XLogP0.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 50964290) is N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCCc2cnc[nH]2)CC1=O.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DXDISLDESDLOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)7-18-8-11(5-13(18)19)14(20)16-4-3-12-6-15-9-17-12/h6,9-11H,3-5,7-8H2,1-2H3,(H,15,17)(H,16,20).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50964290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).