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

C19H20N6O — CID 24984058

IUPAC5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc4nc[nH]c4c3)nc2n1CC1CCCCC1
InChIInChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26)
InChIKeyARAFZLNEXXVYMQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.24
Rot. Bonds3

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

5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24984058) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24984058
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc4nc[nH]c4c3)nc2n1CC1CCCCC1
InChIInChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26)
InChIKeyARAFZLNEXXVYMQ-UHFFFAOYSA-N
XLogP3.24
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 24984058) is 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc4nc[nH]c4c3)nc2n1CC1CCCCC1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is ARAFZLNEXXVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26).
What are the key properties of 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24984058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).