1-[(1-ethylimidazol-2-yl)methyl]indole

C14H15N3 — CID 63811583

IUPAC1-[(1-ethylimidazol-2-yl)methyl]indole
SMILESCCn1ccnc1Cn1ccc2ccccc21
InChIInChI=1S/C14H15N3/c1-2-16-10-8-15-14(16)11-17-9-7-12-5-3-4-6-13(12)17/h3-10H,2,11H2,1H3
InChIKeyOMLWODIQSOZNEC-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.91
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]indole

1-[(1-ethylimidazol-2-yl)methyl]indole (PubChem CID 63811583) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]indole.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]indole
PubChem CID63811583
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]indole
SMILESCCn1ccnc1Cn1ccc2ccccc21
InChIInChI=1S/C14H15N3/c1-2-16-10-8-15-14(16)11-17-9-7-12-5-3-4-6-13(12)17/h3-10H,2,11H2,1H3
InChIKeyOMLWODIQSOZNEC-UHFFFAOYSA-N
XLogP2.91
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754
1-ethylindole;propane
CID 91144409
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
CID 79760580
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
acetonitrile;1-ethylindole
CID 91050746
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652741
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
1-ethyl-2-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]imidazole
CID 56918946

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]indole?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]indole (CID 63811583) is 1-[(1-ethylimidazol-2-yl)methyl]indole.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]indole?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]indole is CCn1ccnc1Cn1ccc2ccccc21.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]indole?
The InChIKey is OMLWODIQSOZNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-16-10-8-15-14(16)11-17-9-7-12-5-3-4-6-13(12)17/h3-10H,2,11H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]indole?
1-[(1-ethylimidazol-2-yl)methyl]indole has a molecular weight of 225.30 g/mol, XLogP of 2.91, 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]indole is sourced from PubChem (CID 63811583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).