1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine

C23H27N3O2 — CID 69301644

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine
SMILESCCCCc1nc(-c2ccccc2)[nH]c1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H27N3O2/c1-3-4-10-19-20(25-23(24-19)18-8-6-5-7-9-18)15-26(2)14-17-11-12-21-22(13-17)28-16-27-21/h5-9,11-13H,3-4,10,14-16H2,1-2H3,(H,24,25)
InChIKeyQWNJPLXXJPJYDJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.78
Rot. Bonds8

About 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine

1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine (PubChem CID 69301644) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine
PubChem CID69301644
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine
SMILESCCCCc1nc(-c2ccccc2)[nH]c1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H27N3O2/c1-3-4-10-19-20(25-23(24-19)18-8-6-5-7-9-18)15-26(2)14-17-11-12-21-22(13-17)28-16-27-21/h5-9,11-13H,3-4,10,14-16H2,1-2H3,(H,24,25)
InChIKeyQWNJPLXXJPJYDJ-UHFFFAOYSA-N
XLogP4.78
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[4-butyl-2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]methanamine
CID 69302790
N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 69301404
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 8924238
1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(4-fluorophenyl)-5-phenylimidazol-4-yl]methyl]methanamine
CID 18437420
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-methylethanamine;ethane;ethene
CID 171532305
1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-butyl-1,3-diphenylpyrazol-4-yl)methyl]methanamine
CID 18437484
(1R)-N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-(3-butyl-2,5-diphenylimidazol-4-yl)ethanamine
CID 58818079
N-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-1-[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]ethanamine
CID 10163162
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]methyl]-2-naphthalen-2-ylethanamine
CID 69326417
1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-bromo-3-butyl-2-phenylimidazol-4-yl)methyl]methanamine
CID 18437480
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine (CID 69301644) is 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine is CCCCc1nc(-c2ccccc2)[nH]c1CN(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine?
The InChIKey is QWNJPLXXJPJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-4-10-19-20(25-23(24-19)18-8-6-5-7-9-18)15-26(2)14-17-11-12-21-22(13-17)28-16-27-21/h5-9,11-13H,3-4,10,14-16H2,1-2H3,(H,24,25).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine?
1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine has a molecular weight of 377.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 69301644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).