2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane

C15H17ClFN3 — CID 64570578

IUPAC2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
SMILESFc1ccc(-c2cnc(C3CCCCCN3)[nH]2)cc1Cl
InChIInChI=1S/C15H17ClFN3/c16-11-8-10(5-6-12(11)17)14-9-19-15(20-14)13-4-2-1-3-7-18-13/h5-6,8-9,13,18H,1-4,7H2,(H,19,20)
InChIKeyQXCHOMFXYOYLFT-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.07
Rot. Bonds2

About 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane

2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane (PubChem CID 64570578) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane.

Molecular Properties

Compound Name2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
PubChem CID64570578
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
SMILESFc1ccc(-c2cnc(C3CCCCCN3)[nH]2)cc1Cl
InChIInChI=1S/C15H17ClFN3/c16-11-8-10(5-6-12(11)17)14-9-19-15(20-14)13-4-2-1-3-7-18-13/h5-6,8-9,13,18H,1-4,7H2,(H,19,20)
InChIKeyQXCHOMFXYOYLFT-UHFFFAOYSA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[5-(2,4-dichloro-5-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64571206
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
CID 144634079
CID 144634079
2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
CID 83124606
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
CID 144878023
2-[(2S)-pyrrolidin-2-yl]-5-[9,9,10,10-tetrafluoro-7-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenanthren-2-yl]-1H-imidazole
CID 118220423
[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol
CID 91336043
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-fluoro-2-(2-piperidin-2-yl-1H-imidazol-5-yl)pyridine
CID 83124993

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane?
The IUPAC name of 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane (CID 64570578) is 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane.
What is the SMILES notation for 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane?
The canonical SMILES for 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane is Fc1ccc(-c2cnc(C3CCCCCN3)[nH]2)cc1Cl.
What is the InChIKey of 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane?
The InChIKey is QXCHOMFXYOYLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c16-11-8-10(5-6-12(11)17)14-9-19-15(20-14)13-4-2-1-3-7-18-13/h5-6,8-9,13,18H,1-4,7H2,(H,19,20).
What are the key properties of 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane?
2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane has a molecular weight of 293.77 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane is sourced from PubChem (CID 64570578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).