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

C22H22N4O — CID 154964290

IUPACN-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine
SMILESC=Nc1ccc(-c2c(-c3cccc(OC)c3)nc3n2CCC3)cc1/N=C/C
InChIInChI=1S/C22H22N4O/c1-4-24-19-14-16(10-11-18(19)23-2)22-21(25-20-9-6-12-26(20)22)15-7-5-8-17(13-15)27-3/h4-5,7-8,10-11,13-14H,2,6,9,12H2,1,3H3/b24-4+
InChIKeyDXRHCNRCRLZZOK-FZZGJVLGSA-N
MW358.45 g/mol
LogP5.23
Rot. Bonds5

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

N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine (PubChem CID 154964290) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine.

Molecular Properties

Compound NameN-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine
PubChem CID154964290
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine
SMILESC=Nc1ccc(-c2c(-c3cccc(OC)c3)nc3n2CCC3)cc1/N=C/C
InChIInChI=1S/C22H22N4O/c1-4-24-19-14-16(10-11-18(19)23-2)22-21(25-20-9-6-12-26(20)22)15-7-5-8-17(13-15)27-3/h4-5,7-8,10-11,13-14H,2,6,9,12H2,1,3H3/b24-4+
InChIKeyDXRHCNRCRLZZOK-FZZGJVLGSA-N
XLogP5.23
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 102200708
[2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 116854069
3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 657731
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121350148
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole
CID 121358918
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121358920
2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 10538832
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111020303
4-bromo-1-cyclopentyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587192

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine?
The IUPAC name of N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine (CID 154964290) is N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine.
What is the SMILES notation for N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine?
The canonical SMILES for N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine is C=Nc1ccc(-c2c(-c3cccc(OC)c3)nc3n2CCC3)cc1/N=C/C.
What is the InChIKey of N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine?
The InChIKey is DXRHCNRCRLZZOK-FZZGJVLGSA-N. The full InChI is InChI=1S/C22H22N4O/c1-4-24-19-14-16(10-11-18(19)23-2)22-21(25-20-9-6-12-26(20)22)15-7-5-8-17(13-15)27-3/h4-5,7-8,10-11,13-14H,2,6,9,12H2,1,3H3/b24-4+.
What are the key properties of N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine?
N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine has a molecular weight of 358.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-2-(methylideneamino)phenyl]ethanimine is sourced from PubChem (CID 154964290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).