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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Related Compounds

4-Phenylimidazole
CID 69590
4-(4-Chlorophenyl)Imidazole
CID 448632
Lofemizole
CID 71967
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
4-Methyl-2-phenyl-1H-imidazole
CID 70012
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
BU-E 47
CID 14660352
Imidazole derivative 8
CID 54670731
5-(4-chlorophenyl)-2-(methylsulfanyl)-1H-imidazole
CID 2743615
methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine
CID 24971325

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).