N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

C12H15Cl2N5 — CID 71864686

IUPACN'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCn1ccnc1CNCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N5/c1-19-5-4-16-11(19)8-15-2-3-17-12-10(14)6-9(13)7-18-12/h4-7,15H,2-3,8H2,1H3,(H,17,18)
InChIKeyHDEHRCDFGCJUIO-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.32
Rot. Bonds6

About N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 71864686) has the molecular formula C12H15Cl2N5 and a molecular weight of 300.19 g/mol. Its IUPAC name is N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID71864686
Molecular FormulaC12H15Cl2N5
Molecular Weight300.19 g/mol
Exact Mass299.07
IUPAC NameN'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCn1ccnc1CNCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N5/c1-19-5-4-16-11(19)8-15-2-3-17-12-10(14)6-9(13)7-18-12/h4-7,15H,2-3,8H2,1H3,(H,17,18)
InChIKeyHDEHRCDFGCJUIO-UHFFFAOYSA-N
XLogP2.32
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.32
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 N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (CID 71864686) is N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is Cn1ccnc1CNCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is HDEHRCDFGCJUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5/c1-19-5-4-16-11(19)8-15-2-3-17-12-10(14)6-9(13)7-18-12/h4-7,15H,2-3,8H2,1H3,(H,17,18).
What are the key properties of N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 300.19 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-2-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 71864686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).