N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide

C18H25FN4O — CID 135102264

IUPACN-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-22(2)10-11-23(13-17-12-20-14-21-17)18(24)5-3-4-15-6-8-16(19)9-7-15/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,20,21)
InChIKeySXFZDYIVJYUFTN-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.46
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide

N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide (PubChem CID 135102264) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
PubChem CID135102264
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C18H25FN4O/c1-22(2)10-11-23(13-17-12-20-14-21-17)18(24)5-3-4-15-6-8-16(19)9-7-15/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,20,21)
InChIKeySXFZDYIVJYUFTN-UHFFFAOYSA-N
XLogP2.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide 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

N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
CID 154916583
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)acetamide
CID 135106056
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide
CID 135110929
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide
CID 135094657
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide
CID 135099244
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 135112173
3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide
CID 135092811
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135097741
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135101772
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide (CID 135102264) is N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide is CN(C)CCN(Cc1cnc[nH]1)C(=O)CCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide?
The InChIKey is SXFZDYIVJYUFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-22(2)10-11-23(13-17-12-20-14-21-17)18(24)5-3-4-15-6-8-16(19)9-7-15/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide?
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide has a molecular weight of 332.42 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide is sourced from PubChem (CID 135102264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).