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

C14H16N4 — CID 82387880

IUPAC2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1c[nH]c2ccc(-c3cnc(CCN)[nH]3)cc12
InChIInChI=1S/C14H16N4/c1-9-7-16-12-3-2-10(6-11(9)12)13-8-17-14(18-13)4-5-15/h2-3,6-8,16H,4-5,15H2,1H3,(H,17,18)
InChIKeyCYPLRLZABNDELC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.37
Rot. Bonds3

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

2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 82387880) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID82387880
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1c[nH]c2ccc(-c3cnc(CCN)[nH]3)cc12
InChIInChI=1S/C14H16N4/c1-9-7-16-12-3-2-10(6-11(9)12)13-8-17-14(18-13)4-5-15/h2-3,6-8,16H,4-5,15H2,1H3,(H,17,18)
InChIKeyCYPLRLZABNDELC-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine (CID 82387880) is 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine is Cc1c[nH]c2ccc(-c3cnc(CCN)[nH]3)cc12.
What is the InChIKey of 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is CYPLRLZABNDELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-7-16-12-3-2-10(6-11(9)12)13-8-17-14(18-13)4-5-15/h2-3,6-8,16H,4-5,15H2,1H3,(H,17,18).
What are the key properties of 2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine?
2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-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-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82387880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).