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

C22H25N5O — CID 58483593

IUPAC1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
SMILESCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12
InChIInChI=1S/C22H25N5O/c1-16-20-8-7-19(15-21(20)27(24-16)18-5-3-2-4-6-18)26-14-13-25(22(26)28)17-9-11-23-12-10-17/h2-8,15,17,23H,9-14H2,1H3
InChIKeyBEJOXGNWTAVWDK-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.33
Rot. Bonds3

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

1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 58483593) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
PubChem CID58483593
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
SMILESCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12
InChIInChI=1S/C22H25N5O/c1-16-20-8-7-19(15-21(20)27(24-16)18-5-3-2-4-6-18)26-14-13-25(22(26)28)17-9-11-23-12-10-17/h2-8,15,17,23H,9-14H2,1H3
InChIKeyBEJOXGNWTAVWDK-UHFFFAOYSA-N
XLogP3.33
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one (CID 58483593) is 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one is Cc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12.
What is the InChIKey of 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is BEJOXGNWTAVWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-20-8-7-19(15-21(20)27(24-16)18-5-3-2-4-6-18)26-14-13-25(22(26)28)17-9-11-23-12-10-17/h2-8,15,17,23H,9-14H2,1H3.
What are the key properties of 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one?
1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 58483593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).