1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one

C21H29FN4O2 — CID 70068733

IUPAC1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one
SMILESCCN1CC(N2CCC(c3noc4cc(F)ccc34)CC2)N(CC(C)C)C1=O
InChIInChI=1S/C21H29FN4O2/c1-4-24-13-19(26(21(24)27)12-14(2)3)25-9-7-15(8-10-25)20-17-6-5-16(22)11-18(17)28-23-20/h5-6,11,14-15,19H,4,7-10,12-13H2,1-3H3
InChIKeyZAKFWWDTMITITM-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.89
Rot. Bonds5

About 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one

1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one (PubChem CID 70068733) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one
PubChem CID70068733
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC Name1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one
SMILESCCN1CC(N2CCC(c3noc4cc(F)ccc34)CC2)N(CC(C)C)C1=O
InChIInChI=1S/C21H29FN4O2/c1-4-24-13-19(26(21(24)27)12-14(2)3)25-9-7-15(8-10-25)20-17-6-5-16(22)11-18(17)28-23-20/h5-6,11,14-15,19H,4,7-10,12-13H2,1-3H3
InChIKeyZAKFWWDTMITITM-UHFFFAOYSA-N
XLogP3.89
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one (CID 70068733) is 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one is CCN1CC(N2CCC(c3noc4cc(F)ccc34)CC2)N(CC(C)C)C1=O.
What is the InChIKey of 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is ZAKFWWDTMITITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-4-24-13-19(26(21(24)27)12-14(2)3)25-9-7-15(8-10-25)20-17-6-5-16(22)11-18(17)28-23-20/h5-6,11,14-15,19H,4,7-10,12-13H2,1-3H3.
What are the key properties of 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one?
1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 388.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 70068733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).