2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine

C14H16N4 — CID 10331876

IUPAC2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESCc1nccn1-c1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C14H16N4/c1-10-16-6-7-18(10)12-2-3-14-13(8-12)11(4-5-15)9-17-14/h2-3,6-9,17H,4-5,15H2,1H3
InChIKeyMRLSJKMSVUNXEJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.16
Rot. Bonds3

About 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine

2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10331876) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
PubChem CID10331876
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
SMILESCc1nccn1-c1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C14H16N4/c1-10-16-6-7-18(10)12-2-3-14-13(8-12)11(4-5-15)9-17-14/h2-3,6-9,17H,4-5,15H2,1H3
InChIKeyMRLSJKMSVUNXEJ-UHFFFAOYSA-N
XLogP2.16
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10106373
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
CID 10443732
2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine
CID 54323492
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine (CID 10331876) is 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine is Cc1nccn1-c1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is MRLSJKMSVUNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-16-6-7-18(10)12-2-3-14-13(8-12)11(4-5-15)9-17-14/h2-3,6-9,17H,4-5,15H2,1H3.
What are the key properties of 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine?
2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 240.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10331876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).