1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole

C17H14N2O — CID 122548276

IUPAC1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole
SMILESCOc1ccc(C2=CCc3nc4ccccc4n32)cc1
InChIInChI=1S/C17H14N2O/c1-20-13-8-6-12(7-9-13)15-10-11-17-18-14-4-2-3-5-16(14)19(15)17/h2-10H,11H2,1H3
InChIKeyGFOGESMSXGMXHF-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.49
Rot. Bonds2

About 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole

1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole (PubChem CID 122548276) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole
PubChem CID122548276
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole
SMILESCOc1ccc(C2=CCc3nc4ccccc4n32)cc1
InChIInChI=1S/C17H14N2O/c1-20-13-8-6-12(7-9-13)15-10-11-17-18-14-4-2-3-5-16(14)19(15)17/h2-10H,11H2,1H3
InChIKeyGFOGESMSXGMXHF-UHFFFAOYSA-N
XLogP3.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole (CID 122548276) is 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole is COc1ccc(C2=CCc3nc4ccccc4n32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is GFOGESMSXGMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-20-13-8-6-12(7-9-13)15-10-11-17-18-14-4-2-3-5-16(14)19(15)17/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole?
1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 262.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 122548276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).