6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C23H29N3 — CID 123550414

IUPAC6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCCCc1cn2c(n1)C(Cc1ccc(C)cc1)NC(C1C=CC=CC1)C2
InChIInChI=1S/C23H29N3/c1-3-7-20-15-26-16-22(19-8-5-4-6-9-19)25-21(23(26)24-20)14-18-12-10-17(2)11-13-18/h4-6,8,10-13,15,19,21-22,25H,3,7,9,14,16H2,1-2H3
InChIKeyIVXIFZLLXZDSRD-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.53
Rot. Bonds5

About 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 123550414) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID123550414
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCCCc1cn2c(n1)C(Cc1ccc(C)cc1)NC(C1C=CC=CC1)C2
InChIInChI=1S/C23H29N3/c1-3-7-20-15-26-16-22(19-8-5-4-6-9-19)25-21(23(26)24-20)14-18-12-10-17(2)11-13-18/h4-6,8,10-13,15,19,21-22,25H,3,7,9,14,16H2,1-2H3
InChIKeyIVXIFZLLXZDSRD-UHFFFAOYSA-N
XLogP4.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 123550414) is 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is CCCc1cn2c(n1)C(Cc1ccc(C)cc1)NC(C1C=CC=CC1)C2.
What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is IVXIFZLLXZDSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-3-7-20-15-26-16-22(19-8-5-4-6-9-19)25-21(23(26)24-20)14-18-12-10-17(2)11-13-18/h4-6,8,10-13,15,19,21-22,25H,3,7,9,14,16H2,1-2H3.
What are the key properties of 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 347.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-2,4-dien-1-yl-8-[(4-methylphenyl)methyl]-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 123550414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).