N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide

C20H19N3O3 — CID 122157430

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C20H19N3O3/c1-22(11-16-5-6-18-19(10-16)26-14-25-18)20(24)17-4-2-3-15(9-17)12-23-8-7-21-13-23/h2-10,13H,11-12,14H2,1H3
InChIKeyNALAPZAPJKPTIA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.93
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide (PubChem CID 122157430) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide
PubChem CID122157430
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C20H19N3O3/c1-22(11-16-5-6-18-19(10-16)26-14-25-18)20(24)17-4-2-3-15(9-17)12-23-8-7-21-13-23/h2-10,13H,11-12,14H2,1H3
InChIKeyNALAPZAPJKPTIA-UHFFFAOYSA-N
XLogP2.93
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazol-1-ylmethyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051632
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111380313
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55822667
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide
CID 125135925
3-(imidazol-1-ylmethyl)-N-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 167746306

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide (CID 122157430) is N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide?
The InChIKey is NALAPZAPJKPTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-22(11-16-5-6-18-19(10-16)26-14-25-18)20(24)17-4-2-3-15(9-17)12-23-8-7-21-13-23/h2-10,13H,11-12,14H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide has a molecular weight of 349.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 122157430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).