ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene

C23H29FN2O2 — CID 142175760

IUPACethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene
SMILESCC.COCc1ccc(OC)cc1.Fc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C12H11FN2.C9H12O2.C2H6/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11;1-10-7-8-3-5-9(11-2)6-4-8;1-2/h3-6,8H,1-2,7H2;3-6H,7H2,1-2H3;1-2H3
InChIKeyXXIUBRKJSJKBRS-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.50
Rot. Bonds4

About ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene

ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene (PubChem CID 142175760) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene.

Molecular Properties

Compound Nameethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene
PubChem CID142175760
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Nameethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene
SMILESCC.COCc1ccc(OC)cc1.Fc1ccc(-c2cn3c(n2)CCC3)cc1
InChIInChI=1S/C12H11FN2.C9H12O2.C2H6/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11;1-10-7-8-3-5-9(11-2)6-4-8;1-2/h3-6,8H,1-2,7H2;3-6H,7H2,1-2H3;1-2H3
InChIKeyXXIUBRKJSJKBRS-UHFFFAOYSA-N
XLogP5.50
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene?
The IUPAC name of ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene (CID 142175760) is ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene.
What is the SMILES notation for ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene?
The canonical SMILES for ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene is CC.COCc1ccc(OC)cc1.Fc1ccc(-c2cn3c(n2)CCC3)cc1.
What is the InChIKey of ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene?
The InChIKey is XXIUBRKJSJKBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2.C9H12O2.C2H6/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11;1-10-7-8-3-5-9(11-2)6-4-8;1-2/h3-6,8H,1-2,7H2;3-6H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene?
ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene has a molecular weight of 384.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;1-methoxy-4-(methoxymethyl)benzene is sourced from PubChem (CID 142175760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).