2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine

C16H20N4 — CID 10400849

IUPAC2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cn3ccnc3)cc12
InChIInChI=1S/C16H20N4/c1-19(2)7-5-14-10-18-16-4-3-13(9-15(14)16)11-20-8-6-17-12-20/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3
InChIKeyGXDRKMVYBOOCOD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.52
Rot. Bonds5

About 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine

2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 10400849) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID10400849
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cn3ccnc3)cc12
InChIInChI=1S/C16H20N4/c1-19(2)7-5-14-10-18-16-4-3-13(9-15(14)16)11-20-8-6-17-12-20/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3
InChIKeyGXDRKMVYBOOCOD-UHFFFAOYSA-N
XLogP2.52
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine (CID 10400849) is 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(Cn3ccnc3)cc12.
What is the InChIKey of 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is GXDRKMVYBOOCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-19(2)7-5-14-10-18-16-4-3-13(9-15(14)16)11-20-8-6-17-12-20/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3.
What are the key properties of 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(imidazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10400849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).