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

C19H21N7O — CID 57397772

IUPAC5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESNc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCCCC5)c4n3)cc2[nH]1
InChIInChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27)
InChIKeyODYHYESAEXHYRB-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.83
Rot. Bonds3

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

5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57397772) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57397772
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESNc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCCCC5)c4n3)cc2[nH]1
InChIInChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27)
InChIKeyODYHYESAEXHYRB-UHFFFAOYSA-N
XLogP2.83
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 57397772) is 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is Nc1nc2ccc(-c3cnc4[nH]c(=O)n(CC5CCCCC5)c4n3)cc2[nH]1.
What is the InChIKey of 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is ODYHYESAEXHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27).
What are the key properties of 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 363.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3H-benzimidazol-5-yl)-3-(cyclohexylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57397772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).