N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide

C22H21N3O2 — CID 90557096

IUPACN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C22H21N3O2/c26-20(17-5-2-1-3-6-17)12-13-22(27)24-18-10-8-16(9-11-18)19-15-23-21-7-4-14-25(19)21/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,24,27)
InChIKeyVRJBUTMMSIWAMF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.10
Rot. Bonds6

About N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide

N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide (PubChem CID 90557096) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide
PubChem CID90557096
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C22H21N3O2/c26-20(17-5-2-1-3-6-17)12-13-22(27)24-18-10-8-16(9-11-18)19-15-23-21-7-4-14-25(19)21/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,24,27)
InChIKeyVRJBUTMMSIWAMF-UHFFFAOYSA-N
XLogP4.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-phenylacetamide
CID 90557225
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
CID 90557131
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
CID 90557320
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 90557220
4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557180
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,6-difluorobenzamide
CID 90557184
1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557325
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
4-oxo-N,4-diphenylbutanamide
CID 825307
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
CID 90556846
3-(4-phenylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine chloride
CID 21178987
2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557186

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide (CID 90557096) is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)Nc1ccc(-c2cnc3n2CCC3)cc1.
What is the InChIKey of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is VRJBUTMMSIWAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-20(17-5-2-1-3-6-17)12-13-22(27)24-18-10-8-16(9-11-18)19-15-23-21-7-4-14-25(19)21/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,24,27).
What are the key properties of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide?
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 359.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 90557096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).