1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one

C21H22ClN5O2 — CID 53358680

IUPAC1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one
SMILESCN1CCN(c2nc(N3CCN(c4ccc(Cl)cc4)C3=O)cc3ccoc23)CC1
InChIInChI=1S/C21H22ClN5O2/c1-24-7-9-25(10-8-24)20-19-15(6-13-29-19)14-18(23-20)27-12-11-26(21(27)28)17-4-2-16(22)3-5-17/h2-6,13-14H,7-12H2,1H3
InChIKeyRVNNCAPTEPPFJF-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.68
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one

1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one (PubChem CID 53358680) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one
PubChem CID53358680
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one
SMILESCN1CCN(c2nc(N3CCN(c4ccc(Cl)cc4)C3=O)cc3ccoc23)CC1
InChIInChI=1S/C21H22ClN5O2/c1-24-7-9-25(10-8-24)20-19-15(6-13-29-19)14-18(23-20)27-12-11-26(21(27)28)17-4-2-16(22)3-5-17/h2-6,13-14H,7-12H2,1H3
InChIKeyRVNNCAPTEPPFJF-UHFFFAOYSA-N
XLogP3.68
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one (CID 53358680) is 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one is CN1CCN(c2nc(N3CCN(c4ccc(Cl)cc4)C3=O)cc3ccoc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one?
The InChIKey is RVNNCAPTEPPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-24-7-9-25(10-8-24)20-19-15(6-13-29-19)14-18(23-20)27-12-11-26(21(27)28)17-4-2-16(22)3-5-17/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one?
1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one has a molecular weight of 411.89 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[7-(4-methylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]imidazolidin-2-one is sourced from PubChem (CID 53358680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).