3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one

C18H16FN3O2 — CID 90942357

IUPAC3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one
SMILESCc1cc(-c2ccc([C@H]3C[C@@H]3n3c(O)c[nH]c3=O)cn2)ccc1F
InChIInChI=1S/C18H16FN3O2/c1-10-6-11(2-4-14(10)19)15-5-3-12(8-20-15)13-7-16(13)22-17(23)9-21-18(22)24/h2-6,8-9,13,16,23H,7H2,1H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyMLMURYZTDAVUHH-CJNGLKHVSA-N
MW325.34 g/mol
LogP3.12
Rot. Bonds3

About 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one

3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 90942357) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID90942357
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one
SMILESCc1cc(-c2ccc([C@H]3C[C@@H]3n3c(O)c[nH]c3=O)cn2)ccc1F
InChIInChI=1S/C18H16FN3O2/c1-10-6-11(2-4-14(10)19)15-5-3-12(8-20-15)13-7-16(13)22-17(23)9-21-18(22)24/h2-6,8-9,13,16,23H,7H2,1H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyMLMURYZTDAVUHH-CJNGLKHVSA-N
XLogP3.12
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one (CID 90942357) is 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one is Cc1cc(-c2ccc([C@H]3C[C@@H]3n3c(O)c[nH]c3=O)cn2)ccc1F.
What is the InChIKey of 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is MLMURYZTDAVUHH-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10-6-11(2-4-14(10)19)15-5-3-12(8-20-15)13-7-16(13)22-17(23)9-21-18(22)24/h2-6,8-9,13,16,23H,7H2,1H3,(H,21,24)/t13-,16+/m1/s1.
What are the key properties of 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one?
3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 325.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]cyclopropyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 90942357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).