3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one

C42H40N8O2 — CID 159256674

IUPAC3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c2n1.Cc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/2C21H20N4O/c1-15-12-18-19(20(23-15)22-13-16-8-4-2-5-9-16)24-21(26)25(18)14-17-10-6-3-7-11-17;1-15-12-18(22-13-16-8-4-2-5-9-16)19-20(23-15)25(21(26)24-19)14-17-10-6-3-7-11-17/h2*2-12H,13-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyKVZGOHQURHNZCP-UHFFFAOYSA-N
MW688.84 g/mol
LogP7.39
Rot. Bonds10

About 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one

3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 159256674) has the molecular formula C42H40N8O2 and a molecular weight of 688.84 g/mol. Its IUPAC name is 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID159256674
Molecular FormulaC42H40N8O2
Molecular Weight688.84 g/mol
Exact Mass688.33
IUPAC Name3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c2n1.Cc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/2C21H20N4O/c1-15-12-18-19(20(23-15)22-13-16-8-4-2-5-9-16)24-21(26)25(18)14-17-10-6-3-7-11-17;1-15-12-18(22-13-16-8-4-2-5-9-16)19-20(23-15)25(21(26)24-19)14-17-10-6-3-7-11-17/h2*2-12H,13-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyKVZGOHQURHNZCP-UHFFFAOYSA-N
XLogP7.39
TPSA125.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.84
LogP ≤ 57.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one (CID 159256674) is 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one is Cc1cc(NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c2n1.Cc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1.
What is the InChIKey of 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is KVZGOHQURHNZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N4O/c1-15-12-18-19(20(23-15)22-13-16-8-4-2-5-9-16)24-21(26)25(18)14-17-10-6-3-7-11-17;1-15-12-18(22-13-16-8-4-2-5-9-16)19-20(23-15)25(21(26)24-19)14-17-10-6-3-7-11-17/h2*2-12H,13-14H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 688.84 g/mol, XLogP of 7.39, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 159256674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).