N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide

C19H19N3O2S — CID 71797953

IUPACN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C19H19N3O2S/c23-25(24,14-15-6-2-1-3-7-15)21-17-9-4-8-16(12-17)18-13-20-19-10-5-11-22(18)19/h1-4,6-9,12-13,21H,5,10-11,14H2
InChIKeyWRHYSVKTSKDSQM-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.44
Rot. Bonds5

About N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 71797953) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID71797953
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C19H19N3O2S/c23-25(24,14-15-6-2-1-3-7-15)21-17-9-4-8-16(12-17)18-13-20-19-10-5-11-22(18)19/h1-4,6-9,12-13,21H,5,10-11,14H2
InChIKeyWRHYSVKTSKDSQM-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide (CID 71797953) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cccc(-c2cnc3n2CCC3)c1.
What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is WRHYSVKTSKDSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,14-15-6-2-1-3-7-15)21-17-9-4-8-16(12-17)18-13-20-19-10-5-11-22(18)19/h1-4,6-9,12-13,21H,5,10-11,14H2.
What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide?
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 71797953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).