4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole

C13H16ClN3 — CID 14064744

IUPAC4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole
SMILESCCN1c2cccc(Cl)c2CC1C1=NCCN1
InChIInChI=1S/C13H16ClN3/c1-2-17-11-5-3-4-10(14)9(11)8-12(17)13-15-6-7-16-13/h3-5,12H,2,6-8H2,1H3,(H,15,16)
InChIKeyFADQQDNLBYLDIQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.09
Rot. Bonds2

About 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole

4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole (PubChem CID 14064744) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole
PubChem CID14064744
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole
SMILESCCN1c2cccc(Cl)c2CC1C1=NCCN1
InChIInChI=1S/C13H16ClN3/c1-2-17-11-5-3-4-10(14)9(11)8-12(17)13-15-6-7-16-13/h3-5,12H,2,6-8H2,1H3,(H,15,16)
InChIKeyFADQQDNLBYLDIQ-UHFFFAOYSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 10219857
2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole
CID 13473021
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydro-1H-indole
CID 13869744
2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-indole
CID 13869749
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydro-1H-indole
CID 13473017
7-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 13869753
4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
CID 14064737
1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
CID 13389366
1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
CID 13473015
2,3-Dihydro-2-(4,5-dihydroimidazol-2-yl)-1-phenylindole
CID 13715489
2,3-Dihydro-2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indole
CID 13869743
(S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole?
The IUPAC name of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole (CID 14064744) is 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole.
What is the SMILES notation for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole?
The canonical SMILES for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole is CCN1c2cccc(Cl)c2CC1C1=NCCN1.
What is the InChIKey of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole?
The InChIKey is FADQQDNLBYLDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-17-11-5-3-4-10(14)9(11)8-12(17)13-15-6-7-16-13/h3-5,12H,2,6-8H2,1H3,(H,15,16).
What are the key properties of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole?
4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole has a molecular weight of 249.74 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole is sourced from PubChem (CID 14064744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).