(7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one

C18H21N5O — CID 25142167

IUPAC(7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
SMILESCC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C18H21N5O/c1-11(2)13-10-23-16-15(17(24)22(3)18(23)19-13)20-14(21-16)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyPLCYKQQSOYMAEM-ZDUSSCGKSA-N
MW323.40 g/mol
LogP2.29
Rot. Bonds3

About (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one

(7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one (PubChem CID 25142167) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one.

Molecular Properties

Compound Name(7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
PubChem CID25142167
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
SMILESCC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C18H21N5O/c1-11(2)13-10-23-16-15(17(24)22(3)18(23)19-13)20-14(21-16)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyPLCYKQQSOYMAEM-ZDUSSCGKSA-N
XLogP2.29
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
The IUPAC name of (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one (CID 25142167) is (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one.
What is the SMILES notation for (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
The canonical SMILES for (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one is CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1[nH]c(Cc3ccccc3)nc12.
What is the InChIKey of (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
The InChIKey is PLCYKQQSOYMAEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11(2)13-10-23-16-15(17(24)22(3)18(23)19-13)20-14(21-16)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one?
(7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one is sourced from PubChem (CID 25142167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).