N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide

C20H20FN3O2 — CID 86991062

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1F
InChIInChI=1S/C20H20FN3O2/c1-14(17-7-8-19(26-2)18(21)11-17)23-20(25)16-5-3-15(4-6-16)12-24-10-9-22-13-24/h3-11,13-14H,12H2,1-2H3,(H,23,25)
InChIKeyQEOPIZKTPBRBPW-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.57
Rot. Bonds6

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 86991062) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID86991062
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1F
InChIInChI=1S/C20H20FN3O2/c1-14(17-7-8-19(26-2)18(21)11-17)23-20(25)16-5-3-15(4-6-16)12-24-10-9-22-13-24/h3-11,13-14H,12H2,1-2H3,(H,23,25)
InChIKeyQEOPIZKTPBRBPW-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide 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-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94168627
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide (CID 86991062) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide is COc1ccc(C(C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is QEOPIZKTPBRBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(17-7-8-19(26-2)18(21)11-17)23-20(25)16-5-3-15(4-6-16)12-24-10-9-22-13-24/h3-11,13-14H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 86991062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).