1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C25H29FN4O — CID 10409893

IUPAC1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1cccc2c1c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
InChIKeyUFCWWRYYWMLFPE-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.42
Rot. Bonds5

About 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 10409893) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID10409893
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1cccc2c1c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
InChIKeyUFCWWRYYWMLFPE-UHFFFAOYSA-N
XLogP4.42
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

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3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide
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Fce 22716
CID 125720
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-(2-fluorophenyl)cyclopentyl]urea
CID 66549276
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-(3-fluorophenyl)cyclopentyl]urea
CID 66549466
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]urea
CID 66549650
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-(3-fluorophenyl)cyclopentyl]urea
CID 66549652
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-phenylcyclopentyl]urea
CID 66551086
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
CID 68313317
SB 200646 hydrochloride
CID 5311422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 10409893) is 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is Cc1cccc2c1c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is UFCWWRYYWMLFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31).
What are the key properties of 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 420.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(4-fluorophenyl)-4-methylindol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10409893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).