4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one

C19H21FN4O — CID 46838229

IUPAC4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)[C@H](C)Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H21FN4O/c1-11(2)12(3)22-16-10-14(8-9-21-16)18-17(23-19(25)24-18)13-4-6-15(20)7-5-13/h4-12H,1-3H3,(H,21,22)(H2,23,24,25)/t12-/m0/s1
InChIKeyJINDHPYXCKJQGI-LBPRGKRZSA-N
MW340.40 g/mol
LogP4.03
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one

4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one (PubChem CID 46838229) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
PubChem CID46838229
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)[C@H](C)Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H21FN4O/c1-11(2)12(3)22-16-10-14(8-9-21-16)18-17(23-19(25)24-18)13-4-6-15(20)7-5-13/h4-12H,1-3H3,(H,21,22)(H2,23,24,25)/t12-/m0/s1
InChIKeyJINDHPYXCKJQGI-LBPRGKRZSA-N
XLogP4.03
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.03
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-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one (CID 46838229) is 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one is CC(C)[C@H](C)Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The InChIKey is JINDHPYXCKJQGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-11(2)12(3)22-16-10-14(8-9-21-16)18-17(23-19(25)24-18)13-4-6-15(20)7-5-13/h4-12H,1-3H3,(H,21,22)(H2,23,24,25)/t12-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
4-(4-fluorophenyl)-5-[2-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one has a molecular weight of 340.40 g/mol, XLogP of 4.03, 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-[[(2S)-3-methylbutan-2-yl]amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 46838229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).