4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one

C13H14N4O — CID 141250301

IUPAC4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one
SMILESN[C@H](Cc1c[nH]c2ccccc12)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H14N4O/c14-10(12-7-16-13(18)17-12)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6-7,10,15H,5,14H2,(H2,16,17,18)/t10-/m1/s1
InChIKeyGGYMVMMBUURGQR-SNVBAGLBSA-N
MW242.28 g/mol
LogP1.43
Rot. Bonds3

About 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one

4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one (PubChem CID 141250301) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one
PubChem CID141250301
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one
SMILESN[C@H](Cc1c[nH]c2ccccc12)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H14N4O/c14-10(12-7-16-13(18)17-12)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6-7,10,15H,5,14H2,(H2,16,17,18)/t10-/m1/s1
InChIKeyGGYMVMMBUURGQR-SNVBAGLBSA-N
XLogP1.43
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
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CID 82385854
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
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CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
CID 70188356
CID 70188356
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104911666

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one (CID 141250301) is 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one is N[C@H](Cc1c[nH]c2ccccc12)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is GGYMVMMBUURGQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N4O/c14-10(12-7-16-13(18)17-12)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6-7,10,15H,5,14H2,(H2,16,17,18)/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one?
4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 141250301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).