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

C14H16N4 — CID 82387807

IUPAC1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1cccc2[nH]c(-c3cnc(C(C)N)[nH]3)cc12
InChIInChI=1S/C14H16N4/c1-8-4-3-5-11-10(8)6-12(17-11)13-7-16-14(18-13)9(2)15/h3-7,9,17H,15H2,1-2H3,(H,16,18)
InChIKeySMBKMOYIFVVHDQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.89
Rot. Bonds2

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

1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 82387807) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID82387807
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1cccc2[nH]c(-c3cnc(C(C)N)[nH]3)cc12
InChIInChI=1S/C14H16N4/c1-8-4-3-5-11-10(8)6-12(17-11)13-7-16-14(18-13)9(2)15/h3-7,9,17H,15H2,1-2H3,(H,16,18)
InChIKeySMBKMOYIFVVHDQ-UHFFFAOYSA-N
XLogP2.89
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine (CID 82387807) is 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine is Cc1cccc2[nH]c(-c3cnc(C(C)N)[nH]3)cc12.
What is the InChIKey of 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is SMBKMOYIFVVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-8-4-3-5-11-10(8)6-12(17-11)13-7-16-14(18-13)9(2)15/h3-7,9,17H,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine?
1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 240.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82387807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).