(3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one

C18H18FN3O2 — CID 20667769

IUPAC(3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one
SMILESCc1[nH]cnc1/C=C1\C(=O)Nc2ccc(F)c(/C=C/CC(C)O)c21
InChIInChI=1S/C18H18FN3O2/c1-10(23)4-3-5-12-14(19)6-7-15-17(12)13(18(24)22-15)8-16-11(2)20-9-21-16/h3,5-10,23H,4H2,1-2H3,(H,20,21)(H,22,24)/b5-3+,13-8-
InChIKeyOVQCKIAUCMIOGE-AHESBMIYSA-N
MW327.36 g/mol
LogP3.13
Rot. Bonds4

About (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one

(3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one (PubChem CID 20667769) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one
PubChem CID20667769
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one
SMILESCc1[nH]cnc1/C=C1\C(=O)Nc2ccc(F)c(/C=C/CC(C)O)c21
InChIInChI=1S/C18H18FN3O2/c1-10(23)4-3-5-12-14(19)6-7-15-17(12)13(18(24)22-15)8-16-11(2)20-9-21-16/h3,5-10,23H,4H2,1-2H3,(H,20,21)(H,22,24)/b5-3+,13-8-
InChIKeyOVQCKIAUCMIOGE-AHESBMIYSA-N
XLogP3.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one (CID 20667769) is (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one is Cc1[nH]cnc1/C=C1\C(=O)Nc2ccc(F)c(/C=C/CC(C)O)c21.
What is the InChIKey of (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one?
The InChIKey is OVQCKIAUCMIOGE-AHESBMIYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-10(23)4-3-5-12-14(19)6-7-15-17(12)13(18(24)22-15)8-16-11(2)20-9-21-16/h3,5-10,23H,4H2,1-2H3,(H,20,21)(H,22,24)/b5-3+,13-8-.
What are the key properties of (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one has a molecular weight of 327.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-4-[(E)-4-hydroxypent-1-enyl]-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 20667769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).