[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol

C16H19N3O — CID 102912836

IUPAC[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol
SMILESCC(C)n1cncc1Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C16H19N3O/c1-12(2)19-11-17-8-15(19)9-18-6-5-14-7-13(10-20)3-4-16(14)18/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyJNBWASAPVCUJDC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.96
Rot. Bonds4

About [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol

[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol (PubChem CID 102912836) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol
PubChem CID102912836
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol
SMILESCC(C)n1cncc1Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C16H19N3O/c1-12(2)19-11-17-8-15(19)9-18-6-5-14-7-13(10-20)3-4-16(14)18/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyJNBWASAPVCUJDC-UHFFFAOYSA-N
XLogP2.96
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol (CID 102912836) is [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol is CC(C)n1cncc1Cn1ccc2cc(CO)ccc21.
What is the InChIKey of [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol?
The InChIKey is JNBWASAPVCUJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)19-11-17-8-15(19)9-18-6-5-14-7-13(10-20)3-4-16(14)18/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol?
[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol has a molecular weight of 269.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).