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

C21H22N6O — CID 24985541

IUPAC3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-n4ccnc4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H22N6O/c28-21-25-19-20(27(21)13-15-4-2-1-3-5-15)24-18(12-23-19)16-6-8-17(9-7-16)26-11-10-22-14-26/h6-12,14-15H,1-5,13H2,(H,23,25,28)
InChIKeyHHPDRWBCLDJWTP-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.55
Rot. Bonds4

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

3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24985541) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24985541
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-n4ccnc4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H22N6O/c28-21-25-19-20(27(21)13-15-4-2-1-3-5-15)24-18(12-23-19)16-6-8-17(9-7-16)26-11-10-22-14-26/h6-12,14-15H,1-5,13H2,(H,23,25,28)
InChIKeyHHPDRWBCLDJWTP-UHFFFAOYSA-N
XLogP3.55
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 24985541) is 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(-n4ccnc4)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is HHPDRWBCLDJWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21-25-19-20(27(21)13-15-4-2-1-3-5-15)24-18(12-23-19)16-6-8-17(9-7-16)26-11-10-22-14-26/h6-12,14-15H,1-5,13H2,(H,23,25,28).
What are the key properties of 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 374.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-(4-imidazol-1-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24985541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).