[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol

C15H17N3O — CID 66398666

IUPAC[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
SMILESCc1nccn1CCn1cc(CO)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-12-16-6-7-17(12)8-9-18-10-13(11-19)14-4-2-3-5-15(14)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyPMVUYVXLVJHZNH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.34
Rot. Bonds4

About [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol

[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol (PubChem CID 66398666) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
PubChem CID66398666
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
SMILESCc1nccn1CCn1cc(CO)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-12-16-6-7-17(12)8-9-18-10-13(11-19)14-4-2-3-5-15(14)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyPMVUYVXLVJHZNH-UHFFFAOYSA-N
XLogP2.34
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]methanol
CID 62223688
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
[1-[(5-methyl-2-pyridinyl)methyl]indol-3-yl]methanol
CID 118617480
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
9-methyl-3-[(2-methylimidazol-1-yl)methyl]carbazol-4-ol
CID 155294458
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol
CID 106717189
[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
CID 66399919
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol?
The IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol (CID 66398666) is [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol?
The canonical SMILES for [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol is Cc1nccn1CCn1cc(CO)c2ccccc21.
What is the InChIKey of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol?
The InChIKey is PMVUYVXLVJHZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-16-6-7-17(12)8-9-18-10-13(11-19)14-4-2-3-5-15(14)18/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol?
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol is sourced from PubChem (CID 66398666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).