1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine

C14H16N4 — CID 82387873

IUPAC1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N4/c1-18-8-7-17-14(18)9-12(15)10-3-2-4-13-11(10)5-6-16-13/h2-8,12,16H,9,15H2,1H3
InChIKeyOMTWZPDAOFVEGY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.14
Rot. Bonds3

About 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine

1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 82387873) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID82387873
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N4/c1-18-8-7-17-14(18)9-12(15)10-3-2-4-13-11(10)5-6-16-13/h2-8,12,16H,9,15H2,1H3
InChIKeyOMTWZPDAOFVEGY-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82381092
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761475
2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
1-(1,5-dihydroimidazo[1,2-b]pyrazol-4-ium-7-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 82390583
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 114019331
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine (CID 82387873) is 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)c1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is OMTWZPDAOFVEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-8-7-17-14(18)9-12(15)10-3-2-4-13-11(10)5-6-16-13/h2-8,12,16H,9,15H2,1H3.
What are the key properties of 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 240.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 82387873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).