1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one

C22H25N5O2 — CID 58483576

IUPAC1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12
InChIInChI=1S/C22H25N5O2/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
InChIKeyAIGQDFSHUMBKLP-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one

1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 58483576) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
PubChem CID58483576
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12
InChIInChI=1S/C22H25N5O2/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3
InChIKeyAIGQDFSHUMBKLP-UHFFFAOYSA-N
XLogP3.03
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one (CID 58483576) is 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one is COc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12.
What is the InChIKey of 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is AIGQDFSHUMBKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-21-19-8-7-18(15-20(19)27(24-21)17-5-3-2-4-6-17)26-14-13-25(22(26)28)16-9-11-23-12-10-16/h2-8,15-16,23H,9-14H2,1H3.
What are the key properties of 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 391.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 58483576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).