5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine

C22H36Cl2N4 — CID 5383665

IUPAC5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
SMILESCCCCCCCCCCCCCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1
InChIInChI=1S/C22H36Cl2N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21-22(26-18)28-20(24)19(23)27-21/h2-17H2,1H3,(H,25,26,27,28)
InChIKeyFQGQMIPHSHPTNB-UHFFFAOYSA-N
MW427.46 g/mol
LogP8.07
Rot. Bonds16

About 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine

5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine (PubChem CID 5383665) has the molecular formula C22H36Cl2N4 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
PubChem CID5383665
Molecular FormulaC22H36Cl2N4
Molecular Weight427.46 g/mol
Exact Mass426.23
IUPAC Name5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
SMILESCCCCCCCCCCCCCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1
InChIInChI=1S/C22H36Cl2N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21-22(26-18)28-20(24)19(23)27-21/h2-17H2,1H3,(H,25,26,27,28)
InChIKeyFQGQMIPHSHPTNB-UHFFFAOYSA-N
XLogP8.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-methyl-2-tetradecyl-1H-imidazole
CID 163997972
2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
CID 76850733
4-bromo-2-heptadecyl-5-methyl-1H-imidazole
CID 101319950
4-bromo-5-methyl-2-tetradecyl-1H-imidazole
CID 101319947
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
1-(2-decyl-5-methyl-1H-imidazol-4-yl)ethanamine
CID 141279063
2-docosyl-1H-benzimidazole
CID 141189761
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
(2-butyl-4-chloro-1H-imidazol-5-yl)phosphonic acid
CID 19764492
2-undecyl-1H-thieno[3,4-d]imidazole
CID 21199937
2-heptadecyl-1H-thieno[3,4-d]imidazole
CID 21200021
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine?
The IUPAC name of 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine (CID 5383665) is 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine is CCCCCCCCCCCCCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine?
The InChIKey is FQGQMIPHSHPTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Cl2N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21-22(26-18)28-20(24)19(23)27-21/h2-17H2,1H3,(H,25,26,27,28).
What are the key properties of 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine?
5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine has a molecular weight of 427.46 g/mol, XLogP of 8.07, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 5383665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).