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

C21H22N6 — CID 141207722

IUPAC3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine
SMILESc1c[nH]c(-c2ccc(-c3cnc4ncn(CC5CCCCC5)c4n3)cc2)n1
InChIInChI=1S/C21H22N6/c1-2-4-15(5-3-1)13-27-14-25-20-21(27)26-18(12-24-20)16-6-8-17(9-7-16)19-22-10-11-23-19/h6-12,14-15H,1-5,13H2,(H,22,23)
InChIKeyCUHFLNXBWNDRKK-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.46
Rot. Bonds4

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

3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine (PubChem CID 141207722) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine
PubChem CID141207722
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine
SMILESc1c[nH]c(-c2ccc(-c3cnc4ncn(CC5CCCCC5)c4n3)cc2)n1
InChIInChI=1S/C21H22N6/c1-2-4-15(5-3-1)13-27-14-25-20-21(27)26-18(12-24-20)16-6-8-17(9-7-16)19-22-10-11-23-19/h6-12,14-15H,1-5,13H2,(H,22,23)
InChIKeyCUHFLNXBWNDRKK-UHFFFAOYSA-N
XLogP4.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine?
The IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine (CID 141207722) is 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine is c1c[nH]c(-c2ccc(-c3cnc4ncn(CC5CCCCC5)c4n3)cc2)n1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine?
The InChIKey is CUHFLNXBWNDRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-2-4-15(5-3-1)13-27-14-25-20-21(27)26-18(12-24-20)16-6-8-17(9-7-16)19-22-10-11-23-19/h6-12,14-15H,1-5,13H2,(H,22,23).
What are the key properties of 3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine?
3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine has a molecular weight of 358.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 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]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 141207722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).