6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine

C16H15Cl3N4 — CID 161280733

IUPAC6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine
SMILESClc1cc(Cl)cc(CCCCNc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C16H15Cl3N4/c17-11-5-10(6-12(18)7-11)3-1-2-4-20-16-22-14-8-13(19)9-21-15(14)23-16/h5-9H,1-4H2,(H2,20,21,22,23)
InChIKeyVFAXQTOHBWPRLB-UHFFFAOYSA-N
MW369.68 g/mol
LogP5.35
Rot. Bonds6

About 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine

6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine (PubChem CID 161280733) has the molecular formula C16H15Cl3N4 and a molecular weight of 369.68 g/mol. Its IUPAC name is 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine
PubChem CID161280733
Molecular FormulaC16H15Cl3N4
Molecular Weight369.68 g/mol
Exact Mass368.04
IUPAC Name6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine
SMILESClc1cc(Cl)cc(CCCCNc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C16H15Cl3N4/c17-11-5-10(6-12(18)7-11)3-1-2-4-20-16-22-14-8-13(19)9-21-15(14)23-16/h5-9H,1-4H2,(H2,20,21,22,23)
InChIKeyVFAXQTOHBWPRLB-UHFFFAOYSA-N
XLogP5.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.68
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine (CID 161280733) is 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine is Clc1cc(Cl)cc(CCCCNc2nc3ncc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The InChIKey is VFAXQTOHBWPRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N4/c17-11-5-10(6-12(18)7-11)3-1-2-4-20-16-22-14-8-13(19)9-21-15(14)23-16/h5-9H,1-4H2,(H2,20,21,22,23).
What are the key properties of 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine?
6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine has a molecular weight of 369.68 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 161280733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).