[4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone

C14H17N3O2 — CID 112532386

IUPAC[4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)n2cnc(CCN)c2)cc1C
InChIInChI=1S/C14H17N3O2/c1-10-7-11(3-4-13(10)19-2)14(18)17-8-12(5-6-15)16-9-17/h3-4,7-9H,5-6,15H2,1-2H3
InChIKeyWOQWOGBLGZEYEG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds4

About [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone

[4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone (PubChem CID 112532386) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone
PubChem CID112532386
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)n2cnc(CCN)c2)cc1C
InChIInChI=1S/C14H17N3O2/c1-10-7-11(3-4-13(10)19-2)14(18)17-8-12(5-6-15)16-9-17/h3-4,7-9H,5-6,15H2,1-2H3
InChIKeyWOQWOGBLGZEYEG-UHFFFAOYSA-N
XLogP1.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
4-methoxy-3-methylbenzoyl cyanide
CID 116918931
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
methyl 3-amino-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 82348273
dodecyl 4-methoxy-3-methylbenzoate
CID 54385488
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone (CID 112532386) is [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)n2cnc(CCN)c2)cc1C.
What is the InChIKey of [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is WOQWOGBLGZEYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-7-11(3-4-13(10)19-2)14(18)17-8-12(5-6-15)16-9-17/h3-4,7-9H,5-6,15H2,1-2H3.
What are the key properties of [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone?
[4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)imidazol-1-yl]-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 112532386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).