1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine

C12H13Cl2N3 — CID 137411079

IUPAC1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine
SMILESCc1c(Cl)ccc(C(N)Cn2ccnc2)c1Cl
InChIInChI=1S/C12H13Cl2N3/c1-8-10(13)3-2-9(12(8)14)11(15)6-17-5-4-16-7-17/h2-5,7,11H,6,15H2,1H3
InChIKeyGZZFPJUXMXLJRR-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.20
Rot. Bonds3

About 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine

1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine (PubChem CID 137411079) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine
PubChem CID137411079
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine
SMILESCc1c(Cl)ccc(C(N)Cn2ccnc2)c1Cl
InChIInChI=1S/C12H13Cl2N3/c1-8-10(13)3-2-9(12(8)14)11(15)6-17-5-4-16-7-17/h2-5,7,11H,6,15H2,1H3
InChIKeyGZZFPJUXMXLJRR-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazol-1-yl-1-phenylethanamine
CID 5195236
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16786819
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
2-imidazol-1-yl-1-thiophen-3-ylethanamine
CID 130835014
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
2,3-dichloro-6-[(1R)-1-(2-imidazol-1-ylethylamino)propyl]phenol
CID 129392909
2,3-dichloro-6-[(1S)-1-(2-imidazol-1-ylethylamino)propyl]phenol
CID 129392908
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole
CID 71193176

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine?
The IUPAC name of 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine (CID 137411079) is 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine.
What is the SMILES notation for 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine?
The canonical SMILES for 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine is Cc1c(Cl)ccc(C(N)Cn2ccnc2)c1Cl.
What is the InChIKey of 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine?
The InChIKey is GZZFPJUXMXLJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-8-10(13)3-2-9(12(8)14)11(15)6-17-5-4-16-7-17/h2-5,7,11H,6,15H2,1H3.
What are the key properties of 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine?
1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine has a molecular weight of 270.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-3-methylphenyl)-2-imidazol-1-ylethanamine is sourced from PubChem (CID 137411079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).