N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide

C22H23N3O3 — CID 70711455

IUPACN,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide
SMILESCc1cc2c(cc1-c1nccn1-c1ccccc1CCC(=O)N(C)C)OCO2
InChIInChI=1S/C22H23N3O3/c1-15-12-19-20(28-14-27-19)13-17(15)22-23-10-11-25(22)18-7-5-4-6-16(18)8-9-21(26)24(2)3/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyLUXUITJLGAQFJU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.60
Rot. Bonds5

About N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide

N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide (PubChem CID 70711455) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide
PubChem CID70711455
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide
SMILESCc1cc2c(cc1-c1nccn1-c1ccccc1CCC(=O)N(C)C)OCO2
InChIInChI=1S/C22H23N3O3/c1-15-12-19-20(28-14-27-19)13-17(15)22-23-10-11-25(22)18-7-5-4-6-16(18)8-9-21(26)24(2)3/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyLUXUITJLGAQFJU-UHFFFAOYSA-N
XLogP3.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine
CID 116836554
3-(6-bromo-1,3-benzodioxol-5-yl)-N,N-dimethylpropanamide
CID 121002967
1-[3-(furan-2-yl)propyl]-2-(6-methyl-1,3-benzodioxol-5-yl)imidazole
CID 70763424
acetic acid;3-[[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
CID 171321641
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 110752841
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
(3R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30379318
3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide
CID 70749578
3-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-N,N-dimethylpropanamide
CID 60926380
2-(6-methyl-1,3-benzodioxol-5-yl)-1-[1-(4-methylsulfonylphenyl)ethyl]imidazole
CID 70728010
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40718117
3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpropanamide;hydrochloride
CID 120608250

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide (CID 70711455) is N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide is Cc1cc2c(cc1-c1nccn1-c1ccccc1CCC(=O)N(C)C)OCO2.
What is the InChIKey of N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide?
The InChIKey is LUXUITJLGAQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-12-19-20(28-14-27-19)13-17(15)22-23-10-11-25(22)18-7-5-4-6-16(18)8-9-21(26)24(2)3/h4-7,10-13H,8-9,14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide?
N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide has a molecular weight of 377.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 70711455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).