1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine

C14H17Cl2N3 — CID 114702775

IUPAC1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-9(2)5-12(17)14-7-18-8-19(14)13-4-3-10(15)6-11(13)16/h3-4,6-9,12H,5,17H2,1-2H3
InChIKeyRTRMSMVEZTWIEY-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.22
Rot. Bonds4

About 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114702775) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114702775
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-9(2)5-12(17)14-7-18-8-19(14)13-4-3-10(15)6-11(13)16/h3-4,6-9,12H,5,17H2,1-2H3
InChIKeyRTRMSMVEZTWIEY-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114702775) is 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1cncn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is RTRMSMVEZTWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-9(2)5-12(17)14-7-18-8-19(14)13-4-3-10(15)6-11(13)16/h3-4,6-9,12H,5,17H2,1-2H3.
What are the key properties of 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114702775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).