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

C21H20N4O — CID 58948131

IUPAC1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/C21H20N4O/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/h2-12H,13-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyHQPMUCMOBSCEAK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.69
Rot. Bonds5

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

1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 58948131) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID58948131
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1
InChIInChI=1S/C21H20N4O/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/h2-12H,13-14H2,1H3,(H,22,23)(H,24,26)
InChIKeyHQPMUCMOBSCEAK-UHFFFAOYSA-N
XLogP3.69
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one (CID 58948131) is 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one is Cc1cc2c([nH]c(=O)n2Cc2ccccc2)c(NCc2ccccc2)n1.
What is the InChIKey of 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is HQPMUCMOBSCEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/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/h2-12H,13-14H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one?
1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 344.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 58948131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).