8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine

C26H22ClN3 — CID 146409708

IUPAC8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine
SMILESC=c1c(CC2=CC=CC2)nc2n1C=C(c1cccc(Cl)c1)NC=2Cc1ccccc1
InChIInChI=1S/C26H22ClN3/c1-18-23(14-19-10-5-6-11-19)29-26-24(15-20-8-3-2-4-9-20)28-25(17-30(18)26)21-12-7-13-22(27)16-21/h2-10,12-13,16-17,28H,1,11,14-15H2
InChIKeySPKYSRLTINZUID-UHFFFAOYSA-N
MW411.94 g/mol
LogP4.29
Rot. Bonds5

About 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine

8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine (PubChem CID 146409708) has the molecular formula C26H22ClN3 and a molecular weight of 411.94 g/mol. Its IUPAC name is 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine
PubChem CID146409708
Molecular FormulaC26H22ClN3
Molecular Weight411.94 g/mol
Exact Mass411.15
IUPAC Name8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine
SMILESC=c1c(CC2=CC=CC2)nc2n1C=C(c1cccc(Cl)c1)NC=2Cc1ccccc1
InChIInChI=1S/C26H22ClN3/c1-18-23(14-19-10-5-6-11-19)29-26-24(15-20-8-3-2-4-9-20)28-25(17-30(18)26)21-12-7-13-22(27)16-21/h2-10,12-13,16-17,28H,1,11,14-15H2
InChIKeySPKYSRLTINZUID-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine (CID 146409708) is 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine is C=c1c(CC2=CC=CC2)nc2n1C=C(c1cccc(Cl)c1)NC=2Cc1ccccc1.
What is the InChIKey of 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine?
The InChIKey is SPKYSRLTINZUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3/c1-18-23(14-19-10-5-6-11-19)29-26-24(15-20-8-3-2-4-9-20)28-25(17-30(18)26)21-12-7-13-22(27)16-21/h2-10,12-13,16-17,28H,1,11,14-15H2.
What are the key properties of 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine?
8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine has a molecular weight of 411.94 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 146409708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).