N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine

C18H12ClN5O2 — CID 58902493

IUPACN-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H12ClN5O2/c19-13-2-1-3-14(10-13)21-18-17(22-16-11-20-8-9-23(16)18)12-4-6-15(7-5-12)24(25)26/h1-11,21H
InChIKeyUGVCBVOCIGZWKR-UHFFFAOYSA-N
MW365.78 g/mol
LogP4.70
Rot. Bonds4

About N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine

N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 58902493) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID58902493
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC NameN-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H12ClN5O2/c19-13-2-1-3-14(10-13)21-18-17(22-16-11-20-8-9-23(16)18)12-4-6-15(7-5-12)24(25)26/h1-11,21H
InChIKeyUGVCBVOCIGZWKR-UHFFFAOYSA-N
XLogP4.70
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine (CID 58902493) is N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine is O=[N+]([O-])c1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is UGVCBVOCIGZWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c19-13-2-1-3-14(10-13)21-18-17(22-16-11-20-8-9-23(16)18)12-4-6-15(7-5-12)24(25)26/h1-11,21H.
What are the key properties of N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine?
N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 365.78 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 58902493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).