(3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one

C19H12FN3O2 — CID 177373727

IUPAC(3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)c3ccc(F)cc3)cc2/C1=C/c1cnc[nH]1
InChIInChI=1S/C19H12FN3O2/c20-13-4-1-11(2-5-13)18(24)12-3-6-17-15(7-12)16(19(25)23-17)8-14-9-21-10-22-14/h1-10H,(H,21,22)(H,23,25)/b16-8-
InChIKeyFVZOPZDLKKFMBZ-PXNMLYILSA-N
MW333.32 g/mol
LogP3.27
Rot. Bonds3

About (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one

(3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one (PubChem CID 177373727) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
PubChem CID177373727
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name(3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)c3ccc(F)cc3)cc2/C1=C/c1cnc[nH]1
InChIInChI=1S/C19H12FN3O2/c20-13-4-1-11(2-5-13)18(24)12-3-6-17-15(7-12)16(19(25)23-17)8-14-9-21-10-22-14/h1-10H,(H,21,22)(H,23,25)/b16-8-
InChIKeyFVZOPZDLKKFMBZ-PXNMLYILSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide
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CID 507883

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one (CID 177373727) is (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(C(=O)c3ccc(F)cc3)cc2/C1=C/c1cnc[nH]1.
What is the InChIKey of (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The InChIKey is FVZOPZDLKKFMBZ-PXNMLYILSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-13-4-1-11(2-5-13)18(24)12-3-6-17-15(7-12)16(19(25)23-17)8-14-9-21-10-22-14/h1-10H,(H,21,22)(H,23,25)/b16-8-.
What are the key properties of (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
(3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one has a molecular weight of 333.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-fluorobenzoyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 177373727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).