4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one

C22H19FN4O — CID 46838230

IUPAC4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
SMILESC[C@@H](Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H19FN4O/c1-14(15-5-3-2-4-6-15)25-19-13-17(11-12-24-19)21-20(26-22(28)27-21)16-7-9-18(23)10-8-16/h2-14H,1H3,(H,24,25)(H2,26,27,28)/t14-/m1/s1
InChIKeySIFWKCGECONQHE-CQSZACIVSA-N
MW374.42 g/mol
LogP4.74
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one

4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one (PubChem CID 46838230) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
PubChem CID46838230
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
SMILESC[C@@H](Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H19FN4O/c1-14(15-5-3-2-4-6-15)25-19-13-17(11-12-24-19)21-20(26-22(28)27-21)16-7-9-18(23)10-8-16/h2-14H,1H3,(H,24,25)(H2,26,27,28)/t14-/m1/s1
InChIKeySIFWKCGECONQHE-CQSZACIVSA-N
XLogP4.74
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one (CID 46838230) is 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one is C[C@@H](Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The InChIKey is SIFWKCGECONQHE-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14(15-5-3-2-4-6-15)25-19-13-17(11-12-24-19)21-20(26-22(28)27-21)16-7-9-18(23)10-8-16/h2-14H,1H3,(H,24,25)(H2,26,27,28)/t14-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one has a molecular weight of 374.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[[(1R)-1-phenylethyl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 46838230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).