cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine

C25H28N2 — CID 10570277

IUPACcyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine
SMILES[H]/N=C(/c1cc(C)n(-c2ccc(C)cc2)c1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H28N2/c1-18-13-15-22(16-14-18)27-19(2)17-23(24(26)20-9-5-3-6-10-20)25(27)21-11-7-4-8-12-21/h4,7-8,11-17,20,26H,3,5-6,9-10H2,1-2H3/b26-24+
InChIKeyHACWLDWRPOLUNV-SHHOIMCASA-N
MW356.51 g/mol
LogP6.71
Rot. Bonds4

About cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine

cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine (PubChem CID 10570277) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine.

Molecular Properties

Compound Namecyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine
PubChem CID10570277
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Namecyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine
SMILES[H]/N=C(/c1cc(C)n(-c2ccc(C)cc2)c1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H28N2/c1-18-13-15-22(16-14-18)27-19(2)17-23(24(26)20-9-5-3-6-10-20)25(27)21-11-7-4-8-12-21/h4,7-8,11-17,20,26H,3,5-6,9-10H2,1-2H3/b26-24+
InChIKeyHACWLDWRPOLUNV-SHHOIMCASA-N
XLogP6.71
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(cyclohexanecarboximidoyl)-4-methylbenzoate
CID 175346154
N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide
CID 10551685
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160687281
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
2-cyclobutyl-1-(4-methylphenyl)benzimidazole
CID 7996379
N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 2437967
1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene
CID 143707750
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide
CID 63177863
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine?
The IUPAC name of cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine (CID 10570277) is cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine.
What is the SMILES notation for cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine?
The canonical SMILES for cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine is [H]/N=C(/c1cc(C)n(-c2ccc(C)cc2)c1-c1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine?
The InChIKey is HACWLDWRPOLUNV-SHHOIMCASA-N. The full InChI is InChI=1S/C25H28N2/c1-18-13-15-22(16-14-18)27-19(2)17-23(24(26)20-9-5-3-6-10-20)25(27)21-11-7-4-8-12-21/h4,7-8,11-17,20,26H,3,5-6,9-10H2,1-2H3/b26-24+.
What are the key properties of cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine?
cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine has a molecular weight of 356.51 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]methanimine is sourced from PubChem (CID 10570277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).