[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol

C16H19N3O — CID 102912438

IUPAC[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
SMILESCCCn1cncc1Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C16H19N3O/c1-2-6-19-12-17-9-15(19)10-18-7-5-14-8-13(11-20)3-4-16(14)18/h3-5,7-9,12,20H,2,6,10-11H2,1H3
InChIKeyZSVTYBIAEKWUTO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.79
Rot. Bonds5

About [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol

[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol (PubChem CID 102912438) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
PubChem CID102912438
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
SMILESCCCn1cncc1Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C16H19N3O/c1-2-6-19-12-17-9-15(19)10-18-7-5-14-8-13(11-20)3-4-16(14)18/h3-5,7-9,12,20H,2,6,10-11H2,1H3
InChIKeyZSVTYBIAEKWUTO-UHFFFAOYSA-N
XLogP2.79
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol (CID 102912438) is [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol is CCCn1cncc1Cn1ccc2cc(CO)ccc21.
What is the InChIKey of [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol?
The InChIKey is ZSVTYBIAEKWUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-6-19-12-17-9-15(19)10-18-7-5-14-8-13(11-20)3-4-16(14)18/h3-5,7-9,12,20H,2,6,10-11H2,1H3.
What are the key properties of [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol?
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol has a molecular weight of 269.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).