2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine

C13H15Cl2N3 — CID 65232570

IUPAC2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C13H15Cl2N3/c1-2-8(6-16)13-17-7-12(18-13)9-3-4-10(14)11(15)5-9/h3-5,7-8H,2,6,16H2,1H3,(H,17,18)
InChIKeySOXAAHMTBNWMCL-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.84
Rot. Bonds4

About 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine

2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 65232570) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID65232570
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C13H15Cl2N3/c1-2-8(6-16)13-17-7-12(18-13)9-3-4-10(14)11(15)5-9/h3-5,7-8H,2,6,16H2,1H3,(H,17,18)
InChIKeySOXAAHMTBNWMCL-UHFFFAOYSA-N
XLogP3.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine (CID 65232570) is 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine is CCC(CN)c1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is SOXAAHMTBNWMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-2-8(6-16)13-17-7-12(18-13)9-3-4-10(14)11(15)5-9/h3-5,7-8H,2,6,16H2,1H3,(H,17,18).
What are the key properties of 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine?
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 65232570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).