N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine

C15H14Cl3N5 — CID 130448023

IUPACN'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine
SMILESClc1cc(Cl)cc(CNCCNc2nc3nc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C15H14Cl3N5/c16-10-5-9(6-11(17)7-10)8-19-3-4-20-15-21-12-1-2-13(18)22-14(12)23-15/h1-2,5-7,19H,3-4,8H2,(H2,20,21,22,23)
InChIKeyMIYXAQMTJOFMTG-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.12
Rot. Bonds6

About N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine

N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine (PubChem CID 130448023) has the molecular formula C15H14Cl3N5 and a molecular weight of 370.67 g/mol. Its IUPAC name is N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine
PubChem CID130448023
Molecular FormulaC15H14Cl3N5
Molecular Weight370.67 g/mol
Exact Mass369.03
IUPAC NameN'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine
SMILESClc1cc(Cl)cc(CNCCNc2nc3nc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C15H14Cl3N5/c16-10-5-9(6-11(17)7-10)8-19-3-4-20-15-21-12-1-2-13(18)22-14(12)23-15/h1-2,5-7,19H,3-4,8H2,(H2,20,21,22,23)
InChIKeyMIYXAQMTJOFMTG-UHFFFAOYSA-N
XLogP4.12
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine (CID 130448023) is N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine is Clc1cc(Cl)cc(CNCCNc2nc3nc(Cl)ccc3[nH]2)c1.
What is the InChIKey of N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is MIYXAQMTJOFMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N5/c16-10-5-9(6-11(17)7-10)8-19-3-4-20-15-21-12-1-2-13(18)22-14(12)23-15/h1-2,5-7,19H,3-4,8H2,(H2,20,21,22,23).
What are the key properties of N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine?
N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 370.67 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 130448023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).