1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol

C14H16ClN3O — CID 55149781

IUPAC1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCn3ccnc3C2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-10(19)11-2-3-13(12(15)8-11)18-7-6-17-5-4-16-14(17)9-18/h2-5,8,10,19H,6-7,9H2,1H3
InChIKeyVNPKIDBANPSYDW-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.61
Rot. Bonds2

About 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol

1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol (PubChem CID 55149781) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
PubChem CID55149781
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCn3ccnc3C2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-10(19)11-2-3-13(12(15)8-11)18-7-6-17-5-4-16-14(17)9-18/h2-5,8,10,19H,6-7,9H2,1H3
InChIKeyVNPKIDBANPSYDW-UHFFFAOYSA-N
XLogP2.61
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol (CID 55149781) is 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol is CC(O)c1ccc(N2CCn3ccnc3C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
The InChIKey is VNPKIDBANPSYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10(19)11-2-3-13(12(15)8-11)18-7-6-17-5-4-16-14(17)9-18/h2-5,8,10,19H,6-7,9H2,1H3.
What are the key properties of 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol has a molecular weight of 277.76 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol is sourced from PubChem (CID 55149781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).