2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide

C13H13N3O — CID 44574988

IUPAC2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide
SMILESNC(=O)c1ccccc1C1Cc2nccn2C1
InChIInChI=1S/C13H13N3O/c14-13(17)11-4-2-1-3-10(11)9-7-12-15-5-6-16(12)8-9/h1-6,9H,7-8H2,(H2,14,17)
InChIKeyRNYVEHHLLLFHRP-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.32
Rot. Bonds2

About 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide

2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide (PubChem CID 44574988) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide
PubChem CID44574988
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide
SMILESNC(=O)c1ccccc1C1Cc2nccn2C1
InChIInChI=1S/C13H13N3O/c14-13(17)11-4-2-1-3-10(11)9-7-12-15-5-6-16(12)8-9/h1-6,9H,7-8H2,(H2,14,17)
InChIKeyRNYVEHHLLLFHRP-UHFFFAOYSA-N
XLogP1.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide (CID 44574988) is 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide is NC(=O)c1ccccc1C1Cc2nccn2C1.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide?
The InChIKey is RNYVEHHLLLFHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13(17)11-4-2-1-3-10(11)9-7-12-15-5-6-16(12)8-9/h1-6,9H,7-8H2,(H2,14,17).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide?
2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide has a molecular weight of 227.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)benzamide is sourced from PubChem (CID 44574988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).