(3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one

C19H20ClFN4O — CID 71499198

IUPAC(3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1cnc(C2CCN(CCF)CC2)[nH]1
InChIInChI=1S/C19H20ClFN4O/c20-13-1-2-17-15(9-13)16(19(26)24-17)10-14-11-22-18(23-14)12-3-6-25(7-4-12)8-5-21/h1-2,9-12H,3-8H2,(H,22,23)(H,24,26)/b16-10-
InChIKeyMOJGJJPDYRPITB-YBEGLDIGSA-N
MW374.85 g/mol
LogP3.70
Rot. Bonds4

About (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one (PubChem CID 71499198) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
PubChem CID71499198
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name(3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1cnc(C2CCN(CCF)CC2)[nH]1
InChIInChI=1S/C19H20ClFN4O/c20-13-1-2-17-15(9-13)16(19(26)24-17)10-14-11-22-18(23-14)12-3-6-25(7-4-12)8-5-21/h1-2,9-12H,3-8H2,(H,22,23)(H,24,26)/b16-10-
InChIKeyMOJGJJPDYRPITB-YBEGLDIGSA-N
XLogP3.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one (CID 71499198) is (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1cnc(C2CCN(CCF)CC2)[nH]1.
What is the InChIKey of (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
The InChIKey is MOJGJJPDYRPITB-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c20-13-1-2-17-15(9-13)16(19(26)24-17)10-14-11-22-18(23-14)12-3-6-25(7-4-12)8-5-21/h1-2,9-12H,3-8H2,(H,22,23)(H,24,26)/b16-10-.
What are the key properties of (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one has a molecular weight of 374.85 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[2-[1-(2-fluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71499198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).