3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

C19H22N4O2 — CID 24985362

IUPAC3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(CO)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C19H22N4O2/c24-12-14-6-8-15(9-7-14)16-10-20-17-18(21-16)23(19(25)22-17)11-13-4-2-1-3-5-13/h6-10,13,24H,1-5,11-12H2,(H,20,22,25)
InChIKeyXERLYFQBPNSINL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.86
Rot. Bonds4

About 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24985362) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24985362
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(CO)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C19H22N4O2/c24-12-14-6-8-15(9-7-14)16-10-20-17-18(21-16)23(19(25)22-17)11-13-4-2-1-3-5-13/h6-10,13,24H,1-5,11-12H2,(H,20,22,25)
InChIKeyXERLYFQBPNSINL-UHFFFAOYSA-N
XLogP2.86
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 24985362) is 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(CO)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is XERLYFQBPNSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-12-14-6-8-15(9-7-14)16-10-20-17-18(21-16)23(19(25)22-17)11-13-4-2-1-3-5-13/h6-10,13,24H,1-5,11-12H2,(H,20,22,25).
What are the key properties of 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24985362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).