1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one

C23H25ClF2N2O2 — CID 144991092

IUPAC1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one
SMILESCCCC(=O)c1nc(-c2ccc(CCC)c(F)c2)n(C2=CC(F)=C(OC)CC2)c1Cl
InChIInChI=1S/C23H25ClF2N2O2/c1-4-6-14-8-9-15(12-17(14)25)23-27-21(19(29)7-5-2)22(24)28(23)16-10-11-20(30-3)18(26)13-16/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyFMYZHBDYWSNKJR-UHFFFAOYSA-N
MW434.91 g/mol
LogP6.74
Rot. Bonds8

About 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one

1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one (PubChem CID 144991092) has the molecular formula C23H25ClF2N2O2 and a molecular weight of 434.91 g/mol. Its IUPAC name is 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one
PubChem CID144991092
Molecular FormulaC23H25ClF2N2O2
Molecular Weight434.91 g/mol
Exact Mass434.16
IUPAC Name1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one
SMILESCCCC(=O)c1nc(-c2ccc(CCC)c(F)c2)n(C2=CC(F)=C(OC)CC2)c1Cl
InChIInChI=1S/C23H25ClF2N2O2/c1-4-6-14-8-9-15(12-17(14)25)23-27-21(19(29)7-5-2)22(24)28(23)16-10-11-20(30-3)18(26)13-16/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyFMYZHBDYWSNKJR-UHFFFAOYSA-N
XLogP6.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.91
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one 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

5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde
CID 144991035
[(3R)-3-aminopyrrolidin-1-yl]-[5-chloro-2-(3-fluoro-4-isocyanophenyl)-1-(4-methoxyphenyl)imidazol-4-yl]methanone
CID 140910069
ethane;5-fluoro-1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-propylphenyl)-4-methylimidazole;(3-methylpyrrolidin-1-yl)methanol
CID 144991199
7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
CID 139260247
4-butyl-2-chloro-3-[5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 142787551
1-[3-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]butan-1-one;1,4-dimethylpyrazole;ethane;propane
CID 145013044
ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate
CID 160730558
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
1-[4-[4-(3-fluoro-4-pentylphenyl)phenyl]phenyl]pentan-1-one
CID 142331681
ethyl 2-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]-3-oxohexanoate
CID 154119753
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one?
The IUPAC name of 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one (CID 144991092) is 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one.
What is the SMILES notation for 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one?
The canonical SMILES for 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one is CCCC(=O)c1nc(-c2ccc(CCC)c(F)c2)n(C2=CC(F)=C(OC)CC2)c1Cl.
What is the InChIKey of 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one?
The InChIKey is FMYZHBDYWSNKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N2O2/c1-4-6-14-8-9-15(12-17(14)25)23-27-21(19(29)7-5-2)22(24)28(23)16-10-11-20(30-3)18(26)13-16/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one?
1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one has a molecular weight of 434.91 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(3-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-2-(3-fluoro-4-propylphenyl)imidazol-4-yl]butan-1-one is sourced from PubChem (CID 144991092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).