[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone

C24H26FN3O — CID 144754830

IUPAC[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cncn2Cc2ccccc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN3O/c1-18-5-4-13-27(14-12-18)24(29)23-15-26-17-28(23)16-20-6-2-3-7-22(20)19-8-10-21(25)11-9-19/h2-3,6-11,15,17-18H,4-5,12-14,16H2,1H3
InChIKeyVOBNFDWHQQTRMI-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.00
Rot. Bonds4

About [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone

[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone (PubChem CID 144754830) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone
PubChem CID144754830
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cncn2Cc2ccccc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN3O/c1-18-5-4-13-27(14-12-18)24(29)23-15-26-17-28(23)16-20-6-2-3-7-22(20)19-8-10-21(25)11-9-19/h2-3,6-11,15,17-18H,4-5,12-14,16H2,1H3
InChIKeyVOBNFDWHQQTRMI-UHFFFAOYSA-N
XLogP5.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethylnonan-4-ol;ethane;ethene;[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone
CID 144754829
[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-[4-[2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-6-yl)ethyl]piperidin-1-yl]methanone
CID 123992614
[3-[1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]-[4-(4-hydroxy-4-methylpiperidin-1-yl)azepan-1-yl]methanone
CID 123617844
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate
CID 144752754
1-[1-[[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]-3-methylpiperidin-4-yl]piperazine
CID 123806186
[4-(4-fluoro-3-hydroxypiperidin-1-yl)piperidin-1-yl]-[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanone
CID 86343757
[1-[[2-(4-fluorophenyl)phenyl]methyl]-5,6-dihydro-4H-azocin-2-yl]-[4-(1-methylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone
CID 123390680
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92767524
(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone?
The IUPAC name of [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone (CID 144754830) is [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone?
The canonical SMILES for [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone is CC1CCCN(C(=O)c2cncn2Cc2ccccc2-c2ccc(F)cc2)CC1.
What is the InChIKey of [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone?
The InChIKey is VOBNFDWHQQTRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-18-5-4-13-27(14-12-18)24(29)23-15-26-17-28(23)16-20-6-2-3-7-22(20)19-8-10-21(25)11-9-19/h2-3,6-11,15,17-18H,4-5,12-14,16H2,1H3.
What are the key properties of [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone?
[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone has a molecular weight of 391.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 144754830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).