1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole

C15H17N3 — CID 116620242

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
SMILESCCn1ccnc1Cn1ccc2c(C)cccc21
InChIInChI=1S/C15H17N3/c1-3-17-10-8-16-15(17)11-18-9-7-13-12(2)5-4-6-14(13)18/h4-10H,3,11H2,1-2H3
InChIKeyGOVKNXZHCHWNKN-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.21
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole

1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole (PubChem CID 116620242) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
PubChem CID116620242
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
SMILESCCn1ccnc1Cn1ccc2c(C)cccc21
InChIInChI=1S/C15H17N3/c1-3-17-10-8-16-15(17)11-18-9-7-13-12(2)5-4-6-14(13)18/h4-10H,3,11H2,1-2H3
InChIKeyGOVKNXZHCHWNKN-UHFFFAOYSA-N
XLogP3.21
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]indole
CID 63811583
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620304
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole
CID 116620195
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
CID 79760580
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methylindole
CID 116620154
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole (CID 116620242) is 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole is CCn1ccnc1Cn1ccc2c(C)cccc21.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole?
The InChIKey is GOVKNXZHCHWNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-17-10-8-16-15(17)11-18-9-7-13-12(2)5-4-6-14(13)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole?
1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole has a molecular weight of 239.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole is sourced from PubChem (CID 116620242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).