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

C21H22N6O — CID 57392605

IUPAC3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4ncc[nH]4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-17(12-24-19)15-6-8-16(9-7-15)18-22-10-11-23-18/h6-12,14H,1-5,13H2,(H,22,23)(H,24,26,28)
InChIKeyWOMACFLNSYTUOO-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.76
Rot. Bonds4

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

3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57392605) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57392605
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4ncc[nH]4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-17(12-24-19)15-6-8-16(9-7-15)18-22-10-11-23-18/h6-12,14H,1-5,13H2,(H,22,23)(H,24,26,28)
InChIKeyWOMACFLNSYTUOO-UHFFFAOYSA-N
XLogP3.76
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Arpromidine
CID 65895
BN-81,644
CID 9802572
Imidazopyridine 12a
CID 5329347
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
7-Benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538796
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
2-(cyclohexylmethyl)-5-(4-phenylphenyl)-1H-imidazole
CID 9966703
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 57392605) is 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(-c4ncc[nH]4)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is WOMACFLNSYTUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-17(12-24-19)15-6-8-16(9-7-15)18-22-10-11-23-18/h6-12,14H,1-5,13H2,(H,22,23)(H,24,26,28).
What are the key properties of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 374.45 g/mol, XLogP of 3.76, 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-(1H-imidazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57392605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).