4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

C28H19ClN6O — CID 10005816

IUPAC4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H19ClN6O/c29-22-11-9-20(10-12-22)28(36)32-23-8-4-7-21(17-23)24-18-34-15-13-31-26(34)27(33-24)35-16-14-30-25(35)19-5-2-1-3-6-19/h1-18H,(H,32,36)
InChIKeyAMBRDVIZJTUWSB-UHFFFAOYSA-N
MW490.95 g/mol
LogP6.15
Rot. Bonds5

About 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (PubChem CID 10005816) has the molecular formula C28H19ClN6O and a molecular weight of 490.95 g/mol. Its IUPAC name is 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
PubChem CID10005816
Molecular FormulaC28H19ClN6O
Molecular Weight490.95 g/mol
Exact Mass490.13
IUPAC Name4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H19ClN6O/c29-22-11-9-20(10-12-22)28(36)32-23-8-4-7-21(17-23)24-18-34-15-13-31-26(34)27(33-24)35-16-14-30-25(35)19-5-2-1-3-6-19/h1-18H,(H,32,36)
InChIKeyAMBRDVIZJTUWSB-UHFFFAOYSA-N
XLogP6.15
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (CID 10005816) is 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is O=C(Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The InChIKey is AMBRDVIZJTUWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN6O/c29-22-11-9-20(10-12-22)28(36)32-23-8-4-7-21(17-23)24-18-34-15-13-31-26(34)27(33-24)35-16-14-30-25(35)19-5-2-1-3-6-19/h1-18H,(H,32,36).
What are the key properties of 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide has a molecular weight of 490.95 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is sourced from PubChem (CID 10005816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).