N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide

C21H22FN3O3 — CID 25341523

IUPACN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc(OC)c1C
InChIInChI=1S/C21H22FN3O3/c1-13-17(27-3)11-15(12-18(13)28-4)21(26)24-19(20-23-8-9-25(20)2)14-6-5-7-16(22)10-14/h5-12,19H,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyJUJVROLRTZYVLJ-LJQANCHMSA-N
MW383.42 g/mol
LogP3.40
Rot. Bonds6

About N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 25341523) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID25341523
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc(OC)c1C
InChIInChI=1S/C21H22FN3O3/c1-13-17(27-3)11-15(12-18(13)28-4)21(26)24-19(20-23-8-9-25(20)2)14-6-5-7-16(22)10-14/h5-12,19H,1-4H3,(H,24,26)/t19-/m1/s1
InChIKeyJUJVROLRTZYVLJ-LJQANCHMSA-N
XLogP3.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
CID 55453549
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide (CID 25341523) is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc(OC)c1C.
What is the InChIKey of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is JUJVROLRTZYVLJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-13-17(27-3)11-15(12-18(13)28-4)21(26)24-19(20-23-8-9-25(20)2)14-6-5-7-16(22)10-14/h5-12,19H,1-4H3,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide?
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 383.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 25341523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).