(3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one

C18H12ClN3O — CID 13339527

IUPAC(3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one
SMILESO=C1/C(=C\n2ccnc2)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O/c19-13-4-3-5-14(10-13)22-17-7-2-1-6-15(17)16(18(22)23)11-21-9-8-20-12-21/h1-12H/b16-11-
InChIKeyJJZHCDTZHVLRPM-WJDWOHSUSA-N
MW321.77 g/mol
LogP4.21
Rot. Bonds2

About (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one

(3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one (PubChem CID 13339527) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one
PubChem CID13339527
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name(3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one
SMILESO=C1/C(=C\n2ccnc2)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O/c19-13-4-3-5-14(10-13)22-17-7-2-1-6-15(17)16(18(22)23)11-21-9-8-20-12-21/h1-12H/b16-11-
InChIKeyJJZHCDTZHVLRPM-WJDWOHSUSA-N
XLogP4.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
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)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one?
The IUPAC name of (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one (CID 13339527) is (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one?
The canonical SMILES for (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one is O=C1/C(=C\n2ccnc2)c2ccccc2N1c1cccc(Cl)c1.
What is the InChIKey of (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one?
The InChIKey is JJZHCDTZHVLRPM-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-13-4-3-5-14(10-13)22-17-7-2-1-6-15(17)16(18(22)23)11-21-9-8-20-12-21/h1-12H/b16-11-.
What are the key properties of (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one?
(3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one has a molecular weight of 321.77 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(3-chlorophenyl)-3-(imidazol-1-ylmethylidene)indol-2-one is sourced from PubChem (CID 13339527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).