2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid

C15H23N5O6S — CID 173016004

IUPAC2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid
SMILESCOc1ccc2[nH]cc(CCN)c2c1.O=S(=O)(O)O.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C11H14N2O.C4H7N3O.H2O4S/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h2-3,6-7,13H,4-5,12H2,1H3;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
InChIKeyNBPVWCHAMSYGRS-UHFFFAOYSA-N
MW401.45 g/mol
LogP0.01
Rot. Bonds3

About 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid

2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid (PubChem CID 173016004) has the molecular formula C15H23N5O6S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid.

Molecular Properties

Compound Name2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid
PubChem CID173016004
Molecular FormulaC15H23N5O6S
Molecular Weight401.45 g/mol
Exact Mass401.14
IUPAC Name2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid
SMILESCOc1ccc2[nH]cc(CCN)c2c1.O=S(=O)(O)O.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C11H14N2O.C4H7N3O.H2O4S/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h2-3,6-7,13H,4-5,12H2,1H3;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
InChIKeyNBPVWCHAMSYGRS-UHFFFAOYSA-N
XLogP0.01
TPSA181.83 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 50.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-1H-indole-5,6-diol;2-imino-1-methylimidazolidin-4-one;sulfuric acid
CID 137321892
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
6-[4-(5-methoxy-1H-indol-3-yl)butanoyl]-4-oxopyran-2-carboxylic acid;2-(5-methoxy-1H-indol-3-yl)ethanamine;4-oxopyran-2,6-dicarboxylic acid
CID 160762582
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168507488
8-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 136537122
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid?
The IUPAC name of 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid (CID 173016004) is 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid.
What is the SMILES notation for 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid?
The canonical SMILES for 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid is COc1ccc2[nH]cc(CCN)c2c1.O=S(=O)(O)O.[H]/N=C1/NC(=O)CN1C.
What is the InChIKey of 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid?
The InChIKey is NBPVWCHAMSYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C4H7N3O.H2O4S/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h2-3,6-7,13H,4-5,12H2,1H3;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4).
What are the key properties of 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid?
2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid has a molecular weight of 401.45 g/mol, XLogP of 0.01, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylimidazolidin-4-one;2-(5-methoxy-1H-indol-3-yl)ethanamine;sulfuric acid is sourced from PubChem (CID 173016004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).