1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one

C23H24N4O2 — CID 67456724

IUPAC1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-29-13-12-19-14-20-21(22(25-19)24-15-17-8-4-2-5-9-17)26-23(28)27(20)16-18-10-6-3-7-11-18/h2-11,14H,12-13,15-16H2,1H3,(H,24,25)(H,26,28)
InChIKeyMRKOCDLRDJYCKI-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.57
Rot. Bonds8

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

1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 67456724) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID67456724
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-29-13-12-19-14-20-21(22(25-19)24-15-17-8-4-2-5-9-17)26-23(28)27(20)16-18-10-6-3-7-11-18/h2-11,14H,12-13,15-16H2,1H3,(H,24,25)(H,26,28)
InChIKeyMRKOCDLRDJYCKI-UHFFFAOYSA-N
XLogP3.57
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 67456724) is 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one is COCCc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1.
What is the InChIKey of 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is MRKOCDLRDJYCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-13-12-19-14-20-21(22(25-19)24-15-17-8-4-2-5-9-17)26-23(28)27(20)16-18-10-6-3-7-11-18/h2-11,14H,12-13,15-16H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one?
1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(benzylamino)-6-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 67456724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).