4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one

C27H34FN5O — CID 123184996

IUPAC4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one
SMILESCCCc1[nH]c(-c2ccc(F)c(C)c2)nc1CCCC(=O)N1CCN(c2cc(C)ccn2)CC1
InChIInChI=1S/C27H34FN5O/c1-4-6-23-24(31-27(30-23)21-9-10-22(28)20(3)18-21)7-5-8-26(34)33-15-13-32(14-16-33)25-17-19(2)11-12-29-25/h9-12,17-18H,4-8,13-16H2,1-3H3,(H,30,31)
InChIKeyGTLRMQVXNYZRQW-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.85
Rot. Bonds8

About 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one

4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one (PubChem CID 123184996) has the molecular formula C27H34FN5O and a molecular weight of 463.60 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one
PubChem CID123184996
Molecular FormulaC27H34FN5O
Molecular Weight463.60 g/mol
Exact Mass463.27
IUPAC Name4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one
SMILESCCCc1[nH]c(-c2ccc(F)c(C)c2)nc1CCCC(=O)N1CCN(c2cc(C)ccn2)CC1
InChIInChI=1S/C27H34FN5O/c1-4-6-23-24(31-27(30-23)21-9-10-22(28)20(3)18-21)7-5-8-26(34)33-15-13-32(14-16-33)25-17-19(2)11-12-29-25/h9-12,17-18H,4-8,13-16H2,1-3H3,(H,30,31)
InChIKeyGTLRMQVXNYZRQW-UHFFFAOYSA-N
XLogP4.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]butan-1-one
CID 123536670
2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289698
1-(4-methyl-2-pyridinyl)piperazine;2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one;3-(4-oxo-3H-quinazolin-2-yl)propanoic acid;hydrochloride
CID 161439693
4-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 123607365
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95728262
3-[5-(4-fluoro-3-methylphenyl)-7-phenyl-3,4-dihydro-2H-azepin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 123462220
1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186207
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71586586
2-[4-(4-fluoro-3-methylphenyl)-1-phenylimidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71580513
3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122349602
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one (CID 123184996) is 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one is CCCc1[nH]c(-c2ccc(F)c(C)c2)nc1CCCC(=O)N1CCN(c2cc(C)ccn2)CC1.
What is the InChIKey of 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one?
The InChIKey is GTLRMQVXNYZRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O/c1-4-6-23-24(31-27(30-23)21-9-10-22(28)20(3)18-21)7-5-8-26(34)33-15-13-32(14-16-33)25-17-19(2)11-12-29-25/h9-12,17-18H,4-8,13-16H2,1-3H3,(H,30,31).
What are the key properties of 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one?
4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one has a molecular weight of 463.60 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-3-methylphenyl)-5-propyl-1H-imidazol-4-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 123184996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).