2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine

C14H16N4 — CID 64988316

IUPAC2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESc1cc(CNCCc2cnc[nH]2)c2cc[nH]c2c1
InChIInChI=1S/C14H16N4/c1-2-11(13-5-7-17-14(13)3-1)8-15-6-4-12-9-16-10-18-12/h1-3,5,7,9-10,15,17H,4,6,8H2,(H,16,18)
InChIKeyOCQOKXGUOHVIJJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.22
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine

2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine (PubChem CID 64988316) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
PubChem CID64988316
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
SMILESc1cc(CNCCc2cnc[nH]2)c2cc[nH]c2c1
InChIInChI=1S/C14H16N4/c1-2-11(13-5-7-17-14(13)3-1)8-15-6-4-12-9-16-10-18-12/h1-3,5,7,9-10,15,17H,4,6,8H2,(H,16,18)
InChIKeyOCQOKXGUOHVIJJ-UHFFFAOYSA-N
XLogP2.22
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 94074514
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 80650330
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
2-(1H-imidazol-5-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 46991408
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-(1H-indol-4-ylmethyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 119110663

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine (CID 64988316) is 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine is c1cc(CNCCc2cnc[nH]2)c2cc[nH]c2c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
The InChIKey is OCQOKXGUOHVIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-11(13-5-7-17-14(13)3-1)8-15-6-4-12-9-16-10-18-12/h1-3,5,7,9-10,15,17H,4,6,8H2,(H,16,18).
What are the key properties of 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine?
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine has a molecular weight of 240.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine is sourced from PubChem (CID 64988316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).