1-(1H-imidazol-1-ium-1-yl)indole

C11H10N3+ — CID 173358563

IUPAC1-(1H-imidazol-1-ium-1-yl)indole
SMILESC1=C[NH+](n2ccc3ccccc32)C=N1
InChIInChI=1S/C11H9N3/c1-2-4-11-10(3-1)5-7-14(11)13-8-6-12-9-13/h1-9H/p+1
InChIKeyLWQRVGUDJWIXEM-UHFFFAOYSA-O
MW184.22 g/mol
LogP0.80
Rot. Bonds1

About 1-(1H-imidazol-1-ium-1-yl)indole

1-(1H-imidazol-1-ium-1-yl)indole (PubChem CID 173358563) has the molecular formula C11H10N3+ and a molecular weight of 184.22 g/mol. Its IUPAC name is 1-(1H-imidazol-1-ium-1-yl)indole.

Molecular Properties

Compound Name1-(1H-imidazol-1-ium-1-yl)indole
PubChem CID173358563
Molecular FormulaC11H10N3+
Molecular Weight184.22 g/mol
Exact Mass184.09
IUPAC Name1-(1H-imidazol-1-ium-1-yl)indole
SMILESC1=C[NH+](n2ccc3ccccc32)C=N1
InChIInChI=1S/C11H9N3/c1-2-4-11-10(3-1)5-7-14(11)13-8-6-12-9-13/h1-9H/p+1
InChIKeyLWQRVGUDJWIXEM-UHFFFAOYSA-O
XLogP0.80
TPSA21.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-1-ium-1-yl)indole?
The IUPAC name of 1-(1H-imidazol-1-ium-1-yl)indole (CID 173358563) is 1-(1H-imidazol-1-ium-1-yl)indole.
What is the SMILES notation for 1-(1H-imidazol-1-ium-1-yl)indole?
The canonical SMILES for 1-(1H-imidazol-1-ium-1-yl)indole is C1=C[NH+](n2ccc3ccccc32)C=N1.
What is the InChIKey of 1-(1H-imidazol-1-ium-1-yl)indole?
The InChIKey is LWQRVGUDJWIXEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9N3/c1-2-4-11-10(3-1)5-7-14(11)13-8-6-12-9-13/h1-9H/p+1.
What are the key properties of 1-(1H-imidazol-1-ium-1-yl)indole?
1-(1H-imidazol-1-ium-1-yl)indole has a molecular weight of 184.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-1-ium-1-yl)indole is sourced from PubChem (CID 173358563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).