2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol

C16H19N3O — CID 116882873

IUPAC2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2c(C)[nH]c3ccccc23)[nH]1
InChIInChI=1S/C16H19N3O/c1-3-11(9-20)16-17-8-14(19-16)15-10(2)18-13-7-5-4-6-12(13)15/h4-8,11,18,20H,3,9H2,1-2H3,(H,17,19)
InChIKeyRRVRIXUAHHTTOC-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.35
Rot. Bonds4

About 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol

2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol (PubChem CID 116882873) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
PubChem CID116882873
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2c(C)[nH]c3ccccc23)[nH]1
InChIInChI=1S/C16H19N3O/c1-3-11(9-20)16-17-8-14(19-16)15-10(2)18-13-7-5-4-6-12(13)15/h4-8,11,18,20H,3,9H2,1-2H3,(H,17,19)
InChIKeyRRVRIXUAHHTTOC-UHFFFAOYSA-N
XLogP3.35
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol?
The IUPAC name of 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol (CID 116882873) is 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol?
The canonical SMILES for 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol is CCC(CO)c1ncc(-c2c(C)[nH]c3ccccc23)[nH]1.
What is the InChIKey of 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol?
The InChIKey is RRVRIXUAHHTTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11(9-20)16-17-8-14(19-16)15-10(2)18-13-7-5-4-6-12(13)15/h4-8,11,18,20H,3,9H2,1-2H3,(H,17,19).
What are the key properties of 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol?
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol is sourced from PubChem (CID 116882873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).