6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C15H16Cl2N2O — CID 178128844

IUPAC6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCc1cn2c(n1)CC(c1c(OC)ccc(Cl)c1Cl)C2
InChIInChI=1S/C15H16Cl2N2O/c1-3-10-8-19-7-9(6-13(19)18-10)14-12(20-2)5-4-11(16)15(14)17/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyLZUJTBCGRORVIO-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.10
Rot. Bonds3

About 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 178128844) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID178128844
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCc1cn2c(n1)CC(c1c(OC)ccc(Cl)c1Cl)C2
InChIInChI=1S/C15H16Cl2N2O/c1-3-10-8-19-7-9(6-13(19)18-10)14-12(20-2)5-4-11(16)15(14)17/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyLZUJTBCGRORVIO-UHFFFAOYSA-N
XLogP4.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 178128844) is 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CCc1cn2c(n1)CC(c1c(OC)ccc(Cl)c1Cl)C2.
What is the InChIKey of 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is LZUJTBCGRORVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-3-10-8-19-7-9(6-13(19)18-10)14-12(20-2)5-4-11(16)15(14)17/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 311.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 178128844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).