5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde

C19H16F3N3O2 — CID 144991035

IUPAC5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde
SMILESCCCc1ccc(-c2nc(C=O)c(F)n2-c2cnc(OC)c(F)c2)cc1F
InChIInChI=1S/C19H16F3N3O2/c1-3-4-11-5-6-12(7-14(11)20)18-24-16(10-26)17(22)25(18)13-8-15(21)19(27-2)23-9-13/h5-10H,3-4H2,1-2H3
InChIKeyLHZVZHDRVCDESB-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.13
Rot. Bonds6

About 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde

5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde (PubChem CID 144991035) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde
PubChem CID144991035
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde
SMILESCCCc1ccc(-c2nc(C=O)c(F)n2-c2cnc(OC)c(F)c2)cc1F
InChIInChI=1S/C19H16F3N3O2/c1-3-4-11-5-6-12(7-14(11)20)18-24-16(10-26)17(22)25(18)13-8-15(21)19(27-2)23-9-13/h5-10H,3-4H2,1-2H3
InChIKeyLHZVZHDRVCDESB-UHFFFAOYSA-N
XLogP4.13
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-aminopyrrolidine-1-carbaldehyde;2-[2-fluoro-4-[5-fluoro-1-(6-methoxy-3-pyridinyl)-4-methylimidazol-2-yl]phenyl]ethanamine
CID 144991294
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
ethane;5-fluoro-1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-propylphenyl)-4-methylimidazole;(3-methylpyrrolidin-1-yl)methanol
CID 144991199
3-fluoro-4-propylbenzaldehyde
CID 88903432
2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile
CID 166907852
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-5-chloro-1-(5-fluoro-6-methoxy-3-pyridinyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745496
[(3S)-3-aminopiperidin-1-yl]-[2-(3-fluoro-4-isocyanophenyl)-1-(5-fluoro-6-methoxy-3-pyridinyl)-5-methylimidazol-4-yl]methanone
CID 140909933
1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene
CID 70961305
2-(3-chloro-4-fluorophenyl)-5-propyl-1,3-thiazole-4-carbaldehyde
CID 122476503
2-fluoro-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyridine-3-carbaldehyde
CID 123312619
[2-[4-(2-aminoethyl)phenyl]-5-fluoro-1-(6-methoxy-3-pyridinyl)imidazol-4-yl]methanol
CID 144991223
5-(3-fluoro-4-heptylphenyl)-2-heptylpyrimidine
CID 19008446

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde?
The IUPAC name of 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde (CID 144991035) is 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde?
The canonical SMILES for 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde is CCCc1ccc(-c2nc(C=O)c(F)n2-c2cnc(OC)c(F)c2)cc1F.
What is the InChIKey of 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde?
The InChIKey is LHZVZHDRVCDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-3-4-11-5-6-12(7-14(11)20)18-24-16(10-26)17(22)25(18)13-8-15(21)19(27-2)23-9-13/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde?
5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde has a molecular weight of 375.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(5-fluoro-6-methoxy-3-pyridinyl)-2-(3-fluoro-4-propylphenyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 144991035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).