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

C15H18N4 — CID 10106373

IUPAC2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCc1nccn1Cc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C15H18N4/c1-11-17-6-7-19(11)10-12-2-3-15-14(8-12)13(4-5-16)9-18-15/h2-3,6-9,18H,4-5,10,16H2,1H3
InChIKeyGZBMZDMASIUXJF-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.22
Rot. Bonds4

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

2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 10106373) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID10106373
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCc1nccn1Cc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C15H18N4/c1-11-17-6-7-19(11)10-12-2-3-15-14(8-12)13(4-5-16)9-18-15/h2-3,6-9,18H,4-5,10,16H2,1H3
InChIKeyGZBMZDMASIUXJF-UHFFFAOYSA-N
XLogP2.22
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine
CID 10331876
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
2-bromo-5-[(2-methylimidazol-1-yl)methyl]aniline
CID 115557276
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
CID 19752560
2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol
CID 18977099
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 19022935
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-benzyl-2-methylimidazole
CID 158634472
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine (CID 10106373) is 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine is Cc1nccn1Cc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is GZBMZDMASIUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-17-6-7-19(11)10-12-2-3-15-14(8-12)13(4-5-16)9-18-15/h2-3,6-9,18H,4-5,10,16H2,1H3.
What are the key properties of 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine?
2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10106373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).