N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C16H23N3O2 — CID 107446904

IUPACN-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(OC)cc(-n2cncc2CNC(C)(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)18-10-13-9-17-11-19(13)12-6-14(20-4)8-15(7-12)21-5/h6-9,11,18H,10H2,1-5H3
InChIKeyBBEKQTGNZALSMY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.78
Rot. Bonds5

About N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107446904) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107446904
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(OC)cc(-n2cncc2CNC(C)(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)18-10-13-9-17-11-19(13)12-6-14(20-4)8-15(7-12)21-5/h6-9,11,18H,10H2,1-5H3
InChIKeyBBEKQTGNZALSMY-UHFFFAOYSA-N
XLogP2.78
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107446904) is N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is COc1cc(OC)cc(-n2cncc2CNC(C)(C)C)c1.
What is the InChIKey of N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BBEKQTGNZALSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)18-10-13-9-17-11-19(13)12-6-14(20-4)8-15(7-12)21-5/h6-9,11,18H,10H2,1-5H3.
What are the key properties of N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).