1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one

C28H35N5O — CID 69494420

IUPAC1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESO=C1N(C2CCCCC2)CC(c2ccccc2)N1C1CCN(Cc2ccc3nccn3c2)CC1
InChIInChI=1S/C28H35N5O/c34-28-32(24-9-5-2-6-10-24)21-26(23-7-3-1-4-8-23)33(28)25-13-16-30(17-14-25)19-22-11-12-27-29-15-18-31(27)20-22/h1,3-4,7-8,11-12,15,18,20,24-26H,2,5-6,9-10,13-14,16-17,19,21H2
InChIKeyNJIKOLMQPUVJQN-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.11
Rot. Bonds5

About 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one

1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one (PubChem CID 69494420) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one
PubChem CID69494420
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC Name1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESO=C1N(C2CCCCC2)CC(c2ccccc2)N1C1CCN(Cc2ccc3nccn3c2)CC1
InChIInChI=1S/C28H35N5O/c34-28-32(24-9-5-2-6-10-24)21-26(23-7-3-1-4-8-23)33(28)25-13-16-30(17-14-25)19-22-11-12-27-29-15-18-31(27)20-22/h1,3-4,7-8,11-12,15,18,20,24-26H,2,5-6,9-10,13-14,16-17,19,21H2
InChIKeyNJIKOLMQPUVJQN-UHFFFAOYSA-N
XLogP5.11
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one (CID 69494420) is 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one is O=C1N(C2CCCCC2)CC(c2ccccc2)N1C1CCN(Cc2ccc3nccn3c2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
The InChIKey is NJIKOLMQPUVJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O/c34-28-32(24-9-5-2-6-10-24)21-26(23-7-3-1-4-8-23)33(28)25-13-16-30(17-14-25)19-22-11-12-27-29-15-18-31(27)20-22/h1,3-4,7-8,11-12,15,18,20,24-26H,2,5-6,9-10,13-14,16-17,19,21H2.
What are the key properties of 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one has a molecular weight of 457.62 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 69494420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).