3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C21H23N3O4 — CID 46528524

IUPAC3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(OC)c(OC)c2)c2nccn2C)cc1
InChIInChI=1S/C21H23N3O4/c1-24-12-11-22-20(24)19(14-5-8-16(26-2)9-6-14)23-21(25)15-7-10-17(27-3)18(13-15)28-4/h5-13,19H,1-4H3,(H,23,25)
InChIKeyJNZJLDHPTZXEGC-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.97
Rot. Bonds7

About 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 46528524) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID46528524
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(OC)c(OC)c2)c2nccn2C)cc1
InChIInChI=1S/C21H23N3O4/c1-24-12-11-22-20(24)19(14-5-8-16(26-2)9-6-14)23-21(25)15-7-10-17(27-3)18(13-15)28-4/h5-13,19H,1-4H3,(H,23,25)
InChIKeyJNZJLDHPTZXEGC-UHFFFAOYSA-N
XLogP2.97
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 42924364
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
4-cyclopentyloxy-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
CID 55792396
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46569284
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hexoxy-3-methoxybenzamide
CID 55452675
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 55457881

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 46528524) is 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is COc1ccc(C(NC(=O)c2ccc(OC)c(OC)c2)c2nccn2C)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is JNZJLDHPTZXEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-24-12-11-22-20(24)19(14-5-8-16(26-2)9-6-14)23-21(25)15-7-10-17(27-3)18(13-15)28-4/h5-13,19H,1-4H3,(H,23,25).
What are the key properties of 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 381.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 46528524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).