6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one

C18H20Cl2N4O2 — CID 10309614

IUPAC6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCOCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C18H20Cl2N4O2/c1-26-7-3-2-6-24-11-22-15-9-16(23-18(25)17(15)24)21-10-12-4-5-13(19)14(20)8-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,21,23,25)
InChIKeyQEECDRFWMATILQ-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.07
Rot. Bonds8

About 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one

6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 10309614) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID10309614
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCOCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C18H20Cl2N4O2/c1-26-7-3-2-6-24-11-22-15-9-16(23-18(25)17(15)24)21-10-12-4-5-13(19)14(20)8-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,21,23,25)
InChIKeyQEECDRFWMATILQ-UHFFFAOYSA-N
XLogP4.07
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 10309614) is 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one is COCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is QEECDRFWMATILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-26-7-3-2-6-24-11-22-15-9-16(23-18(25)17(15)24)21-10-12-4-5-13(19)14(20)8-12/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,21,23,25).
What are the key properties of 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one?
6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 395.29 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylamino]-3-(4-methoxybutyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 10309614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).