(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine

C11H12ClN3 — CID 104941553

IUPAC(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8(13)11-6-14-7-15(11)10-4-2-3-9(12)5-10/h2-8H,13H2,1H3/t8-/m1/s1
InChIKeyJCZGQRGJFXBUIW-MRVPVSSYSA-N
MW221.69 g/mol
LogP2.55
Rot. Bonds2

About (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 104941553) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
PubChem CID104941553
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-8(13)11-6-14-7-15(11)10-4-2-3-9(12)5-10/h2-8H,13H2,1H3/t8-/m1/s1
InChIKeyJCZGQRGJFXBUIW-MRVPVSSYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine
CID 114704938
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
1-[3-(3,5-dichloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 107581302
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
CID 104942944
(1S)-1-[3-(4-methylsulfonylphenyl)imidazol-4-yl]ethanamine
CID 104942096

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine (CID 104941553) is (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1-c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is JCZGQRGJFXBUIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8(13)11-6-14-7-15(11)10-4-2-3-9(12)5-10/h2-8H,13H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).