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

C25H27FN4O — CID 10409784

IUPAC1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1c(C2=CCN(CCN3CCNC3=O)CC2)c2ccccc2n1-c1ccc(F)cc1
InChIInChI=1S/C25H27FN4O/c1-18-24(19-10-13-28(14-11-19)16-17-29-15-12-27-25(29)31)22-4-2-3-5-23(22)30(18)21-8-6-20(26)7-9-21/h2-10H,11-17H2,1H3,(H,27,31)
InChIKeyQNKNONFOUXSKRI-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.19
Rot. Bonds5

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

1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 10409784) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
PubChem CID10409784
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1c(C2=CCN(CCN3CCNC3=O)CC2)c2ccccc2n1-c1ccc(F)cc1
InChIInChI=1S/C25H27FN4O/c1-18-24(19-10-13-28(14-11-19)16-17-29-15-12-27-25(29)31)22-4-2-3-5-23(22)30(18)21-8-6-20(26)7-9-21/h2-10H,11-17H2,1H3,(H,27,31)
InChIKeyQNKNONFOUXSKRI-UHFFFAOYSA-N
XLogP4.19
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (CID 10409784) is 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is Cc1c(C2=CCN(CCN3CCNC3=O)CC2)c2ccccc2n1-c1ccc(F)cc1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is QNKNONFOUXSKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-18-24(19-10-13-28(14-11-19)16-17-29-15-12-27-25(29)31)22-4-2-3-5-23(22)30(18)21-8-6-20(26)7-9-21/h2-10H,11-17H2,1H3,(H,27,31).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 418.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-2-methylindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10409784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).