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

C23H24N4O3 — CID 55871854

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2cc3ccccc3n2C)c2nccn2C)c1
InChIInChI=1S/C23H24N4O3/c1-26-10-9-24-22(26)21(16-11-17(29-3)14-18(12-16)30-4)25-23(28)20-13-15-7-5-6-8-19(15)27(20)2/h5-14,21H,1-4H3,(H,25,28)
InChIKeyJWJQEXSGGRBFDO-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.45
Rot. Bonds6

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

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide (PubChem CID 55871854) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide
PubChem CID55871854
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2cc3ccccc3n2C)c2nccn2C)c1
InChIInChI=1S/C23H24N4O3/c1-26-10-9-24-22(26)21(16-11-17(29-3)14-18(12-16)30-4)25-23(28)20-13-15-7-5-6-8-19(15)27(20)2/h5-14,21H,1-4H3,(H,25,28)
InChIKeyJWJQEXSGGRBFDO-UHFFFAOYSA-N
XLogP3.45
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55457676
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
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]-3-fluorobenzamide
CID 51273493
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitrobenzamide
CID 134016479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 18283783
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718660

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide (CID 55871854) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide is COc1cc(OC)cc(C(NC(=O)c2cc3ccccc3n2C)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide?
The InChIKey is JWJQEXSGGRBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26-10-9-24-22(26)21(16-11-17(29-3)14-18(12-16)30-4)25-23(28)20-13-15-7-5-6-8-19(15)27(20)2/h5-14,21H,1-4H3,(H,25,28).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 55871854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).