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

C19H22Cl2N4O2 — CID 10173107

IUPAC6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCOCCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C19H22Cl2N4O2/c1-27-8-4-2-3-7-25-12-23-16-10-17(24-19(26)18(16)25)22-11-13-5-6-14(20)15(21)9-13/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H2,22,24,26)
InChIKeyTXUDUMMGJQJCQK-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.46
Rot. Bonds9

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

6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 10173107) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID10173107
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCOCCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21
InChIInChI=1S/C19H22Cl2N4O2/c1-27-8-4-2-3-7-25-12-23-16-10-17(24-19(26)18(16)25)22-11-13-5-6-14(20)15(21)9-13/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H2,22,24,26)
InChIKeyTXUDUMMGJQJCQK-UHFFFAOYSA-N
XLogP4.46
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.46
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-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 10173107) is 6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one is COCCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is TXUDUMMGJQJCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-27-8-4-2-3-7-25-12-23-16-10-17(24-19(26)18(16)25)22-11-13-5-6-14(20)15(21)9-13/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H2,22,24,26).
What are the key properties of 6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one?
6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 409.32 g/mol, XLogP of 4.46, 9 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-(5-methoxypentyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 10173107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).