1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea

C17H22N6O2 — CID 138003231

IUPAC1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCc1nccn1-c1ncccc1CNC(=O)NCCN1CCCC1=O
InChIInChI=1S/C17H22N6O2/c1-13-18-8-11-23(13)16-14(4-2-6-19-16)12-21-17(25)20-7-10-22-9-3-5-15(22)24/h2,4,6,8,11H,3,5,7,9-10,12H2,1H3,(H2,20,21,25)
InChIKeyZHFMVYXYXHKCAD-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.00
Rot. Bonds6

About 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea

1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (PubChem CID 138003231) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
PubChem CID138003231
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
SMILESCc1nccn1-c1ncccc1CNC(=O)NCCN1CCCC1=O
InChIInChI=1S/C17H22N6O2/c1-13-18-8-11-23(13)16-14(4-2-6-19-16)12-21-17(25)20-7-10-22-9-3-5-15(22)24/h2,4,6,8,11H,3,5,7,9-10,12H2,1H3,(H2,20,21,25)
InChIKeyZHFMVYXYXHKCAD-UHFFFAOYSA-N
XLogP1.00
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The IUPAC name of 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea (CID 138003231) is 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea is Cc1nccn1-c1ncccc1CNC(=O)NCCN1CCCC1=O.
What is the InChIKey of 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
The InChIKey is ZHFMVYXYXHKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13-18-8-11-23(13)16-14(4-2-6-19-16)12-21-17(25)20-7-10-22-9-3-5-15(22)24/h2,4,6,8,11H,3,5,7,9-10,12H2,1H3,(H2,20,21,25).
What are the key properties of 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea?
1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea has a molecular weight of 342.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea is sourced from PubChem (CID 138003231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).