N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide

C20H20FN3O3 — CID 51273493

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2cccc(F)c2)c2nccn2C)c1
InChIInChI=1S/C20H20FN3O3/c1-24-8-7-22-19(24)18(14-10-16(26-2)12-17(11-14)27-3)23-20(25)13-5-4-6-15(21)9-13/h4-12,18H,1-3H3,(H,23,25)
InChIKeyQGDKHDLFVULHCW-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.10
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide (PubChem CID 51273493) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
PubChem CID51273493
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2cccc(F)c2)c2nccn2C)c1
InChIInChI=1S/C20H20FN3O3/c1-24-8-7-22-19(24)18(14-10-16(26-2)12-17(11-14)27-3)23-20(25)13-5-4-6-15(21)9-13/h4-12,18H,1-3H3,(H,23,25)
InChIKeyQGDKHDLFVULHCW-UHFFFAOYSA-N
XLogP3.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
3-cyano-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014722
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 18226485

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide (CID 51273493) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide is COc1cc(OC)cc(C(NC(=O)c2cccc(F)c2)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide?
The InChIKey is QGDKHDLFVULHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-24-8-7-22-19(24)18(14-10-16(26-2)12-17(11-14)27-3)23-20(25)13-5-4-6-15(21)9-13/h4-12,18H,1-3H3,(H,23,25).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide has a molecular weight of 369.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 51273493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).