2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole

C13H13N3O — CID 11075144

IUPAC2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole
SMILESCOCn1cnc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C13H13N3O/c1-17-9-16-7-13(14-8-16)12-6-10-4-2-3-5-11(10)15-12/h2-8,15H,9H2,1H3
InChIKeyJQIOTTYWIVWIAE-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.64
Rot. Bonds3

About 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole

2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole (PubChem CID 11075144) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole
PubChem CID11075144
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole
SMILESCOCn1cnc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C13H13N3O/c1-17-9-16-7-13(14-8-16)12-6-10-4-2-3-5-11(10)15-12/h2-8,15H,9H2,1H3
InChIKeyJQIOTTYWIVWIAE-UHFFFAOYSA-N
XLogP2.64
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6-methyl-1H-indol-2-yl)imidazol-1-yl]acetaldehyde
CID 82388377
2-(5-methyl-2-pyridinyl)-1H-indole
CID 66770585
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
2-(2-methoxy-5-methyl-3-pyridinyl)-1H-indole
CID 90290279
2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
CID 137221851
3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824
2-(4-bromo-2-pyridinyl)-1H-indole
CID 152567330
2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
CID 3921207
6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135657707
2-(5-decyl-2-pyridinyl)-1H-indole
CID 150354876
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234
1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine
CID 69187241

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole?
The IUPAC name of 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole (CID 11075144) is 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole.
What is the SMILES notation for 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole?
The canonical SMILES for 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole is COCn1cnc(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole?
The InChIKey is JQIOTTYWIVWIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-17-9-16-7-13(14-8-16)12-6-10-4-2-3-5-11(10)15-12/h2-8,15H,9H2,1H3.
What are the key properties of 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole?
2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole has a molecular weight of 227.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole is sourced from PubChem (CID 11075144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).