N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide

C16H11BrN6O — CID 89447427

IUPACN-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide
SMILESO=C(Nc1c(-c2ccc(Br)cc2)nc2cnccn12)n1ccnc1
InChIInChI=1S/C16H11BrN6O/c17-12-3-1-11(2-4-12)14-15(21-16(24)22-7-5-19-10-22)23-8-6-18-9-13(23)20-14/h1-10H,(H,21,24)
InChIKeyLWGCOYRASBSHME-UHFFFAOYSA-N
MW383.21 g/mol
LogP3.44
Rot. Bonds2

About N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide

N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide (PubChem CID 89447427) has the molecular formula C16H11BrN6O and a molecular weight of 383.21 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide
PubChem CID89447427
Molecular FormulaC16H11BrN6O
Molecular Weight383.21 g/mol
Exact Mass382.02
IUPAC NameN-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide
SMILESO=C(Nc1c(-c2ccc(Br)cc2)nc2cnccn12)n1ccnc1
InChIInChI=1S/C16H11BrN6O/c17-12-3-1-11(2-4-12)14-15(21-16(24)22-7-5-19-10-22)23-8-6-18-9-13(23)20-14/h1-10H,(H,21,24)
InChIKeyLWGCOYRASBSHME-UHFFFAOYSA-N
XLogP3.44
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide (CID 89447427) is N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide is O=C(Nc1c(-c2ccc(Br)cc2)nc2cnccn12)n1ccnc1.
What is the InChIKey of N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide?
The InChIKey is LWGCOYRASBSHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN6O/c17-12-3-1-11(2-4-12)14-15(21-16(24)22-7-5-19-10-22)23-8-6-18-9-13(23)20-14/h1-10H,(H,21,24).
What are the key properties of N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide?
N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide has a molecular weight of 383.21 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]imidazole-1-carboxamide is sourced from PubChem (CID 89447427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).