N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide

C25H22FN3O3 — CID 46089440

IUPACN-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2cnc(-c3cccc(CNC(=O)c4ccc(F)cc4)c3)[nH]2)c1
InChIInChI=1S/C25H22FN3O3/c1-31-20-10-11-23(32-2)21(13-20)22-15-27-24(29-22)18-5-3-4-16(12-18)14-28-25(30)17-6-8-19(26)9-7-17/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHBBLVASCEBVJKT-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.83
Rot. Bonds7

About N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide

N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide (PubChem CID 46089440) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide
PubChem CID46089440
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC NameN-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2cnc(-c3cccc(CNC(=O)c4ccc(F)cc4)c3)[nH]2)c1
InChIInChI=1S/C25H22FN3O3/c1-31-20-10-11-23(32-2)21(13-20)22-15-27-24(29-22)18-5-3-4-16(12-18)14-28-25(30)17-6-8-19(26)9-7-17/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHBBLVASCEBVJKT-UHFFFAOYSA-N
XLogP4.83
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trichloro-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089582
(2S)-N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92773285
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089767
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92772191
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 91498180

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide (CID 46089440) is N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide is COc1ccc(OC)c(-c2cnc(-c3cccc(CNC(=O)c4ccc(F)cc4)c3)[nH]2)c1.
What is the InChIKey of N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide?
The InChIKey is HBBLVASCEBVJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-31-20-10-11-23(32-2)21(13-20)22-15-27-24(29-22)18-5-3-4-16(12-18)14-28-25(30)17-6-8-19(26)9-7-17/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide?
N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide has a molecular weight of 431.47 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 46089440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).