2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde

C14H13N3O — CID 82388379

IUPAC2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde
SMILESCn1ccc2cc(-c3cn(CC=O)cn3)ccc21
InChIInChI=1S/C14H13N3O/c1-16-5-4-12-8-11(2-3-14(12)16)13-9-17(6-7-18)10-15-13/h2-5,7-10H,6H2,1H3
InChIKeyLCCRFHNEYUWYFK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds3

About 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde

2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde (PubChem CID 82388379) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde
PubChem CID82388379
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde
SMILESCn1ccc2cc(-c3cn(CC=O)cn3)ccc21
InChIInChI=1S/C14H13N3O/c1-16-5-4-12-8-11(2-3-14(12)16)13-9-17(6-7-18)10-15-13/h2-5,7-10H,6H2,1H3
InChIKeyLCCRFHNEYUWYFK-UHFFFAOYSA-N
XLogP2.24
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.24
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

1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indole
CID 137376309
4-methyl-6-(1-methylindol-5-yl)pyrimidin-2-amine
CID 56857402
1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
5-(4-fluorophenyl)-1-methylindole
CID 172686115
2-[4-(6-methyl-1H-indol-2-yl)imidazol-1-yl]acetaldehyde
CID 82388377
5-(5-methoxypyrimidin-2-yl)-1-methylindole
CID 137376147
4-(1-methylindol-5-yl)pyrimidine-2,5-diamine
CID 82388292
2-(1-methylindol-5-yl)-N-phenylpyridine-4-carboxamide
CID 117089782
1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
CID 71029156
[3-(1-methylindol-5-yl)phenyl]methanol
CID 178203268
1,4-dimethyl-5-(1-methylindol-5-yl)pyrrole-3-carboxylic acid
CID 69232965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde (CID 82388379) is 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde is Cn1ccc2cc(-c3cn(CC=O)cn3)ccc21.
What is the InChIKey of 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde?
The InChIKey is LCCRFHNEYUWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16-5-4-12-8-11(2-3-14(12)16)13-9-17(6-7-18)10-15-13/h2-5,7-10H,6H2,1H3.
What are the key properties of 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde?
2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde has a molecular weight of 239.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylindol-5-yl)imidazol-1-yl]acetaldehyde is sourced from PubChem (CID 82388379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).