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

C14H16N4 — CID 82387877

IUPAC2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1cccc2[nH]cc(-c3cnc(CCN)[nH]3)c12
InChIInChI=1S/C14H16N4/c1-9-3-2-4-11-14(9)10(7-16-11)12-8-17-13(18-12)5-6-15/h2-4,7-8,16H,5-6,15H2,1H3,(H,17,18)
InChIKeyFQRFSYCAQUAYIO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.37
Rot. Bonds3

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

2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 82387877) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID82387877
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1cccc2[nH]cc(-c3cnc(CCN)[nH]3)c12
InChIInChI=1S/C14H16N4/c1-9-3-2-4-11-14(9)10(7-16-11)12-8-17-13(18-12)5-6-15/h2-4,7-8,16H,5-6,15H2,1H3,(H,17,18)
InChIKeyFQRFSYCAQUAYIO-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-[6-(4-methyl-1H-indol-3-yl)pyrazin-2-yl]ethanamine
CID 82382256
2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine
CID 82387880
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877105
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43650934
2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
CID 13170817
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
CID 43651211

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine (CID 82387877) is 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine is Cc1cccc2[nH]cc(-c3cnc(CCN)[nH]3)c12.
What is the InChIKey of 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is FQRFSYCAQUAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-3-2-4-11-14(9)10(7-16-11)12-8-17-13(18-12)5-6-15/h2-4,7-8,16H,5-6,15H2,1H3,(H,17,18).
What are the key properties of 2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine?
2-[5-(4-methyl-1H-indol-3-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-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82387877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).