5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole

C20H19ClFN3 — CID 10360875

IUPAC5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole
SMILESCCN1CCc2cc(Cl)cc(C(c3ccc(F)cc3)n3ccnc3)c21
InChIInChI=1S/C20H19ClFN3/c1-2-24-9-7-15-11-16(21)12-18(20(15)24)19(25-10-8-23-13-25)14-3-5-17(22)6-4-14/h3-6,8,10-13,19H,2,7,9H2,1H3
InChIKeyZZVWJQNVTDFWKN-UHFFFAOYSA-N
MW355.84 g/mol
LogP4.70
Rot. Bonds4

About 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole

5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole (PubChem CID 10360875) has the molecular formula C20H19ClFN3 and a molecular weight of 355.84 g/mol. Its IUPAC name is 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole
PubChem CID10360875
Molecular FormulaC20H19ClFN3
Molecular Weight355.84 g/mol
Exact Mass355.13
IUPAC Name5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole
SMILESCCN1CCc2cc(Cl)cc(C(c3ccc(F)cc3)n3ccnc3)c21
InChIInChI=1S/C20H19ClFN3/c1-2-24-9-7-15-11-16(21)12-18(20(15)24)19(25-10-8-23-13-25)14-3-5-17(22)6-4-14/h3-6,8,10-13,19H,2,7,9H2,1H3
InChIKeyZZVWJQNVTDFWKN-UHFFFAOYSA-N
XLogP4.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Midazolam
CID 4192
Midazolam Hydrochloride
CID 43032
1-[(3-Chlorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 16108922
5-Bromo-1-ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-2,3-dihydro-1H-indole
CID 44286840
7-[(4-Chloro-phenyl)-imidazol-1-yl-methyl]-1-ethyl-1H-indole
CID 10042609
1-Ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-1H-indole
CID 10064550
1-Ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-2,3-dihydro-1H-indole
CID 10087422
7-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1-ethyl-1H-indole
CID 44286352
7-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1-ethyl-2,3-dihydro-1H-indole
CID 44286839
5-((4-chlorophenyl)(1H-imidazol-1-yl)methyl)-1-methyl-1H-indole
CID 44408293
1-[(4-Tert-butylphenyl)-[1-(4-chlorophenyl)pyrrol-3-yl]methyl]imidazole
CID 155540109
8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepine
CID 14357893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole (CID 10360875) is 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole is CCN1CCc2cc(Cl)cc(C(c3ccc(F)cc3)n3ccnc3)c21.
What is the InChIKey of 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
The InChIKey is ZZVWJQNVTDFWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3/c1-2-24-9-7-15-11-16(21)12-18(20(15)24)19(25-10-8-23-13-25)14-3-5-17(22)6-4-14/h3-6,8,10-13,19H,2,7,9H2,1H3.
What are the key properties of 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole has a molecular weight of 355.84 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole is sourced from PubChem (CID 10360875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).