2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole

C15H13N4+ — CID 10613096

IUPAC2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(C[n+]3ccn4cccc4c3)nc2c1
InChIInChI=1S/C15H13N4/c1-2-6-14-13(5-1)16-15(17-14)11-18-8-9-19-7-3-4-12(19)10-18/h1-10H,11H2,(H,16,17)/q+1
InChIKeyFUPDSMDFYTUHIU-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.15
Rot. Bonds2

About 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole

2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole (PubChem CID 10613096) has the molecular formula C15H13N4+ and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole
PubChem CID10613096
Molecular FormulaC15H13N4+
Molecular Weight249.30 g/mol
Exact Mass249.11
IUPAC Name2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(C[n+]3ccn4cccc4c3)nc2c1
InChIInChI=1S/C15H13N4/c1-2-6-14-13(5-1)16-15(17-14)11-18-8-9-19-7-3-4-12(19)10-18/h1-10H,11H2,(H,16,17)/q+1
InChIKeyFUPDSMDFYTUHIU-UHFFFAOYSA-N
XLogP2.15
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-butylimidazol-1-ium-1-yl)methyl]-1H-benzimidazole
CID 10332553
CID 58296357
CID 58296357
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
CID 87640795
CID 87640795
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]-1H-benzimidazole
CID 13163511
2-(1H-benzimidazol-2-yl)acetate
CID 6955878
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
2-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454
N-[1-(1H-benzimidazol-2-ylmethyl)-2-oxo-3-pyridinyl]formamide
CID 153403078
CID 173407773
CID 173407773

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole (CID 10613096) is 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole is c1ccc2[nH]c(C[n+]3ccn4cccc4c3)nc2c1.
What is the InChIKey of 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole?
The InChIKey is FUPDSMDFYTUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N4/c1-2-6-14-13(5-1)16-15(17-14)11-18-8-9-19-7-3-4-12(19)10-18/h1-10H,11H2,(H,16,17)/q+1.
What are the key properties of 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole?
2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole has a molecular weight of 249.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolo[1,2-a]pyrazin-2-ium-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 10613096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).