2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C19H11Br2N5 — CID 177418908

IUPAC2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(/N=C/c3cccc(Br)c3)c(-c3cccc(Br)c3)nc12
InChIInChI=1S/C19H11Br2N5/c20-15-5-1-3-12(7-15)10-23-19-17(13-4-2-6-16(21)8-13)25-18-14(9-22)11-24-26(18)19/h1-8,10-11,24H/b23-10+
InChIKeyNCVLCMJOVUYQAH-AUEPDCJTSA-N
MW469.14 g/mol
LogP5.48
Rot. Bonds3

About 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 177418908) has the molecular formula C19H11Br2N5 and a molecular weight of 469.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID177418908
Molecular FormulaC19H11Br2N5
Molecular Weight469.14 g/mol
Exact Mass466.94
IUPAC Name2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#Cc1c[nH]n2c(/N=C/c3cccc(Br)c3)c(-c3cccc(Br)c3)nc12
InChIInChI=1S/C19H11Br2N5/c20-15-5-1-3-12(7-15)10-23-19-17(13-4-2-6-16(21)8-13)25-18-14(9-22)11-24-26(18)19/h1-8,10-11,24H/b23-10+
InChIKeyNCVLCMJOVUYQAH-AUEPDCJTSA-N
XLogP5.48
TPSA69.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.14
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 177418908) is 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is N#Cc1c[nH]n2c(/N=C/c3cccc(Br)c3)c(-c3cccc(Br)c3)nc12.
What is the InChIKey of 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is NCVLCMJOVUYQAH-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H11Br2N5/c20-15-5-1-3-12(7-15)10-23-19-17(13-4-2-6-16(21)8-13)25-18-14(9-22)11-24-26(18)19/h1-8,10-11,24H/b23-10+.
What are the key properties of 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 469.14 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 177418908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).