3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol

C19H14Cl2N4O — CID 126472154

IUPAC3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol
SMILESOc1cccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)c3nccn23)c1
InChIInChI=1S/C19H14Cl2N4O/c20-15-5-4-12(8-16(15)21)10-23-18-19-22-6-7-25(19)17(11-24-18)13-2-1-3-14(26)9-13/h1-9,11,26H,10H2,(H,23,24)
InChIKeyQPFMIZGGOZVKMM-UHFFFAOYSA-N
MW385.25 g/mol
LogP5.02
Rot. Bonds4

About 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol

3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol (PubChem CID 126472154) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol.

Molecular Properties

Compound Name3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol
PubChem CID126472154
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC Name3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol
SMILESOc1cccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)c3nccn23)c1
InChIInChI=1S/C19H14Cl2N4O/c20-15-5-4-12(8-16(15)21)10-23-18-19-22-6-7-25(19)17(11-24-18)13-2-1-3-14(26)9-13/h1-9,11,26H,10H2,(H,23,24)
InChIKeyQPFMIZGGOZVKMM-UHFFFAOYSA-N
XLogP5.02
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472247
N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126475682
3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241678
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 126472649
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472930
4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzaldehyde;methanol
CID 143766220
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
5-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]pyridine-2-sulfonamide
CID 135998296

Frequently Asked Questions

What is the IUPAC name of 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol?
The IUPAC name of 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol (CID 126472154) is 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol.
What is the SMILES notation for 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol?
The canonical SMILES for 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol is Oc1cccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)c3nccn23)c1.
What is the InChIKey of 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol?
The InChIKey is QPFMIZGGOZVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c20-15-5-4-12(8-16(15)21)10-23-18-19-22-6-7-25(19)17(11-24-18)13-2-1-3-14(26)9-13/h1-9,11,26H,10H2,(H,23,24).
What are the key properties of 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol?
3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol has a molecular weight of 385.25 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol is sourced from PubChem (CID 126472154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).