1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde

C15H15N3O — CID 114528876

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde
SMILESCn1ccnc1CCn1ccc2c(C=O)cccc21
InChIInChI=1S/C15H15N3O/c1-17-10-7-16-15(17)6-9-18-8-5-13-12(11-19)3-2-4-14(13)18/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyKVBHYVVTINDNDO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde

1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde (PubChem CID 114528876) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde
PubChem CID114528876
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde
SMILESCn1ccnc1CCn1ccc2c(C=O)cccc21
InChIInChI=1S/C15H15N3O/c1-17-10-7-16-15(17)6-9-18-8-5-13-12(11-19)3-2-4-14(13)18/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyKVBHYVVTINDNDO-UHFFFAOYSA-N
XLogP2.43
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
1-[2-(1-methylimidazol-2-yl)ethyl]-4-nitroindole
CID 114531926
3-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528030
1-(ethoxymethyl)indole-4-carbaldehyde
CID 65369266
1-[(4-tert-butylphenyl)methyl]indole-4-carbaldehyde
CID 155672678
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
CID 18973351
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
1-(quinolin-2-ylmethyl)indole-4-carbaldehyde
CID 18973297
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde (CID 114528876) is 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde is Cn1ccnc1CCn1ccc2c(C=O)cccc21.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde?
The InChIKey is KVBHYVVTINDNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-17-10-7-16-15(17)6-9-18-8-5-13-12(11-19)3-2-4-14(13)18/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde?
1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde has a molecular weight of 253.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde is sourced from PubChem (CID 114528876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).