1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile

C23H20N4O2 — CID 59426440

IUPAC1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H20N4O2/c1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28/h4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28)
InChIKeyRTSOQARHXJZSTM-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.47
Rot. Bonds3

About 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile

1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile (PubChem CID 59426440) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile
PubChem CID59426440
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H20N4O2/c1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28/h4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28)
InChIKeyRTSOQARHXJZSTM-UHFFFAOYSA-N
XLogP3.47
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?
The IUPAC name of 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile (CID 59426440) is 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile is CCn1c(C#Cc2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?
The InChIKey is RTSOQARHXJZSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-26-21(20(15-24)19-10-9-18(29-2)14-22(19)26)11-6-16-4-7-17(8-5-16)27-13-12-25-23(27)28/h4-5,7-10,14H,3,12-13H2,1-2H3,(H,25,28).
What are the key properties of 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile?
1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile is sourced from PubChem (CID 59426440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).