2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine

C14H16N4 — CID 82292793

IUPAC2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine
SMILESCc1[nH]c2ccccc2c1-c1nc[nH]c1CCN
InChIInChI=1S/C14H16N4/c1-9-13(10-4-2-3-5-11(10)18-9)14-12(6-7-15)16-8-17-14/h2-5,8,18H,6-7,15H2,1H3,(H,16,17)
InChIKeyIQUMOHVLNQPYOG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.37
Rot. Bonds3

About 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine

2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine (PubChem CID 82292793) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine
PubChem CID82292793
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine
SMILESCc1[nH]c2ccccc2c1-c1nc[nH]c1CCN
InChIInChI=1S/C14H16N4/c1-9-13(10-4-2-3-5-11(10)18-9)14-12(6-7-15)16-8-17-14/h2-5,8,18H,6-7,15H2,1H3,(H,16,17)
InChIKeyIQUMOHVLNQPYOG-UHFFFAOYSA-N
XLogP2.37
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156
2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine
CID 82039882
[6-(2-methyl-1H-indol-3-yl)pyridazin-3-yl]methanamine
CID 82292200
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
CID 116884405
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
2-(2-aminoethyl)-1H-indol-3-ol
CID 54537889
2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876786
[4-(2-methyl-1H-indol-3-yl)-3-pyridinyl]methanamine
CID 83919208
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine (CID 82292793) is 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine is Cc1[nH]c2ccccc2c1-c1nc[nH]c1CCN.
What is the InChIKey of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is IQUMOHVLNQPYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-13(10-4-2-3-5-11(10)18-9)14-12(6-7-15)16-8-17-14/h2-5,8,18H,6-7,15H2,1H3,(H,16,17).
What are the key properties of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine?
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 240.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 82292793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).