1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole

C16H19N3O — CID 83162601

IUPAC1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1cncn1C
InChIInChI=1S/C16H19N3O/c1-12(2)20-16-6-4-5-15-14(16)7-8-19(15)10-13-9-17-11-18(13)3/h4-9,11-12H,10H2,1-3H3
InChIKeyXUWMGNQPHKZKJR-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.21
Rot. Bonds4

About 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole

1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole (PubChem CID 83162601) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole.

Molecular Properties

Compound Name1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole
PubChem CID83162601
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole
SMILESCC(C)Oc1cccc2c1ccn2Cc1cncn1C
InChIInChI=1S/C16H19N3O/c1-12(2)20-16-6-4-5-15-14(16)7-8-19(15)10-13-9-17-11-18(13)3/h4-9,11-12H,10H2,1-3H3
InChIKeyXUWMGNQPHKZKJR-UHFFFAOYSA-N
XLogP3.21
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-methoxy-6-methyl-1-phenyl-1H-1,3-benzodiazole
CID 5328528
1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)-1H-indol-1-yl]butan-2-yl]-1H-imidazole-4-carboxamide
CID 11155059
1-[(2R)-1-hydroxy-4-[6-(3-phenylpropoxy)-1H-indol-1-yl]butan-2-yl]-1H-imidazole-4-carboxamide
CID 11373857
1-[(2R)-4-(6-butoxy-1H-indol-1-yl)-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11394608
1-[(2R)-4-[6-(hexyloxy)-1H-indol-1-yl]-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11406877
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
CID 9820163

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole?
The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole (CID 83162601) is 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole.
What is the SMILES notation for 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole?
The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole is CC(C)Oc1cccc2c1ccn2Cc1cncn1C.
What is the InChIKey of 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole?
The InChIKey is XUWMGNQPHKZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)20-16-6-4-5-15-14(16)7-8-19(15)10-13-9-17-11-18(13)3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole?
1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole has a molecular weight of 269.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-yloxyindole is sourced from PubChem (CID 83162601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).