1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one

C22H25FN2O — CID 142019902

IUPAC1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one
SMILESCCCn1c(CC(C)CC(=O)c2ccc(C)c(F)c2)nc2ccccc21
InChIInChI=1S/C22H25FN2O/c1-4-11-25-20-8-6-5-7-19(20)24-22(25)13-15(2)12-21(26)17-10-9-16(3)18(23)14-17/h5-10,14-15H,4,11-13H2,1-3H3
InChIKeyLJRQAFXEFDBLCE-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.35
Rot. Bonds7

About 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one

1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one (PubChem CID 142019902) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one
PubChem CID142019902
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one
SMILESCCCn1c(CC(C)CC(=O)c2ccc(C)c(F)c2)nc2ccccc21
InChIInChI=1S/C22H25FN2O/c1-4-11-25-20-8-6-5-7-19(20)24-22(25)13-15(2)12-21(26)17-10-9-16(3)18(23)14-17/h5-10,14-15H,4,11-13H2,1-3H3
InChIKeyLJRQAFXEFDBLCE-UHFFFAOYSA-N
XLogP5.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-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

3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
CID 79751264
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one (CID 142019902) is 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one is CCCn1c(CC(C)CC(=O)c2ccc(C)c(F)c2)nc2ccccc21.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one?
The InChIKey is LJRQAFXEFDBLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-4-11-25-20-8-6-5-7-19(20)24-22(25)13-15(2)12-21(26)17-10-9-16(3)18(23)14-17/h5-10,14-15H,4,11-13H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one?
1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one has a molecular weight of 352.45 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one is sourced from PubChem (CID 142019902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).