1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea

C22H26N4O2 — CID 72849724

IUPAC1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C22H26N4O2/c1-25(13-17-9-10-26(15-17)14-16-5-3-2-4-6-16)22(28)23-19-7-8-20-18(11-19)12-21(27)24-20/h2-8,11,17H,9-10,12-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyUKGRGMSBZGBPAJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.17
Rot. Bonds5

About 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea

1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea (PubChem CID 72849724) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
PubChem CID72849724
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C22H26N4O2/c1-25(13-17-9-10-26(15-17)14-16-5-3-2-4-6-16)22(28)23-19-7-8-20-18(11-19)12-21(27)24-20/h2-8,11,17H,9-10,12-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyUKGRGMSBZGBPAJ-UHFFFAOYSA-N
XLogP3.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea (CID 72849724) is 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea is CN(CC1CCN(Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The InChIKey is UKGRGMSBZGBPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25(13-17-9-10-26(15-17)14-16-5-3-2-4-6-16)22(28)23-19-7-8-20-18(11-19)12-21(27)24-20/h2-8,11,17H,9-10,12-15H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea has a molecular weight of 378.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 72849724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).