2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole

C17H16ClFN2 — CID 59715234

IUPAC2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CCc1ccccc1C1=NCCN1
InChIInChI=1S/C17H16ClFN2/c18-15-6-3-7-16(19)14(15)9-8-12-4-1-2-5-13(12)17-20-10-11-21-17/h1-7H,8-11H2,(H,20,21)
InChIKeyVQOWBTUHGDBWOO-UHFFFAOYSA-N
MW302.78 g/mol
LogP3.61
Rot. Bonds4

About 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole

2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59715234) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID59715234
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CCc1ccccc1C1=NCCN1
InChIInChI=1S/C17H16ClFN2/c18-15-6-3-7-16(19)14(15)9-8-12-4-1-2-5-13(12)17-20-10-11-21-17/h1-7H,8-11H2,(H,20,21)
InChIKeyVQOWBTUHGDBWOO-UHFFFAOYSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 279088
2-(3-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 9947469
(4R,5S)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388794
(4R,5S)-2-[2-(3-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388802
2-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44269090
2-(2-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44573408
2-(4-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44573448
(4R,5S)-2-[2-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388827
(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 12980493
5-(2-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10378954
2-(2-phenylphenyl)-4,5-dihydro-1H-imidazole
CID 11074976
2-(2-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44269138

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole (CID 59715234) is 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole is Fc1cccc(Cl)c1CCc1ccccc1C1=NCCN1.
What is the InChIKey of 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is VQOWBTUHGDBWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c18-15-6-3-7-16(19)14(15)9-8-12-4-1-2-5-13(12)17-20-10-11-21-17/h1-7H,8-11H2,(H,20,21).
What are the key properties of 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 302.78 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59715234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).