6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine

C27H30N8 — CID 161457946

IUPAC6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn2c(C)cnc12
InChIInChI=1S/C27H30N8/c1-19-16-29-27-25(28-2)30-23(18-34(19)27)26-31-22-10-9-21(33-13-11-32(3)12-14-33)15-24(22)35(26)17-20-7-5-4-6-8-20/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,28,30)
InChIKeyQWOCPNLNKNZTSF-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.90
Rot. Bonds5

About 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine

6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 161457946) has the molecular formula C27H30N8 and a molecular weight of 466.59 g/mol. Its IUPAC name is 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine
PubChem CID161457946
Molecular FormulaC27H30N8
Molecular Weight466.59 g/mol
Exact Mass466.26
IUPAC Name6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn2c(C)cnc12
InChIInChI=1S/C27H30N8/c1-19-16-29-27-25(28-2)30-23(18-34(19)27)26-31-22-10-9-21(33-13-11-32(3)12-14-33)15-24(22)35(26)17-20-7-5-4-6-8-20/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,28,30)
InChIKeyQWOCPNLNKNZTSF-UHFFFAOYSA-N
XLogP3.90
TPSA66.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine (CID 161457946) is 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine is CNc1nc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn2c(C)cnc12.
What is the InChIKey of 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is QWOCPNLNKNZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8/c1-19-16-29-27-25(28-2)30-23(18-34(19)27)26-31-22-10-9-21(33-13-11-32(3)12-14-33)15-24(22)35(26)17-20-7-5-4-6-8-20/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,28,30).
What are the key properties of 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine?
6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 466.59 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 161457946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).