1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

C26H29FN4O — CID 10048445

IUPAC1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1=CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C26H29FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-9,17H,10-16H2,1-2H3,(H,28,32)
InChIKeyREEDEDPSJLIHLC-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.64
Rot. Bonds5

About 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 10048445) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
PubChem CID10048445
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1=CCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C26H29FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-9,17H,10-16H2,1-2H3,(H,28,32)
InChIKeyREEDEDPSJLIHLC-UHFFFAOYSA-N
XLogP4.64
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (CID 10048445) is 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1=CCN(CCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is REEDEDPSJLIHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-9,17H,10-16H2,1-2H3,(H,28,32).
What are the key properties of 1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 432.54 g/mol, XLogP of 4.64, 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)-2,5-dimethylindol-1-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10048445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).