1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine

C18H16ClN3O — CID 143150781

IUPAC1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine
SMILESCc1c(-c2ccco2)nc2cnccn12.Cc1cccc(Cl)c1
InChIInChI=1S/C11H9N3O.C7H7Cl/c1-8-11(9-3-2-6-15-9)13-10-7-12-4-5-14(8)10;1-6-3-2-4-7(8)5-6/h2-7H,1H3;2-5H,1H3
InChIKeyYPTJXWUJSWYEMQ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.95
Rot. Bonds1

About 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine

1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine (PubChem CID 143150781) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine
PubChem CID143150781
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine
SMILESCc1c(-c2ccco2)nc2cnccn12.Cc1cccc(Cl)c1
InChIInChI=1S/C11H9N3O.C7H7Cl/c1-8-11(9-3-2-6-15-9)13-10-7-12-4-5-14(8)10;1-6-3-2-4-7(8)5-6/h2-7H,1H3;2-5H,1H3
InChIKeyYPTJXWUJSWYEMQ-UHFFFAOYSA-N
XLogP4.95
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
Triazolopyridine oxazole inhibitor 9
CID 23433778
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10270416
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900104
2-chloro-6-(2-furyl)-9-(4-methoxyphenylmethyl)-9H-purine
CID 5270751
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
2-(furan-2-yl)-N-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 7066853
2-(5-methylfuran-2-yl)-N-phenylimidazo[1,2-a]pyrazin-3-amine
CID 5308934
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 9550690
2-{[(5-{4-Chloro-3-nitrophenyl}-2-furyl)methylene]amino}-3-(2-furyl)imidazo[1,2-a]pyridine
CID 9617884

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine?
The IUPAC name of 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine (CID 143150781) is 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine?
The canonical SMILES for 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine is Cc1c(-c2ccco2)nc2cnccn12.Cc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine?
The InChIKey is YPTJXWUJSWYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.C7H7Cl/c1-8-11(9-3-2-6-15-9)13-10-7-12-4-5-14(8)10;1-6-3-2-4-7(8)5-6/h2-7H,1H3;2-5H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine?
1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine has a molecular weight of 325.80 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;2-(furan-2-yl)-3-methylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 143150781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).