N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine

C23H26N2 — CID 3123643

IUPACN-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H26N2/c1-17-15-19(18(2)25(17)22-9-7-6-8-10-22)16-24-21-13-11-20(12-14-21)23(3,4)5/h6-16H,1-5H3/b24-16+
InChIKeyUMGIXOMWAYRSHK-LFVJCYFKSA-N
MW330.48 g/mol
LogP6.14
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine

N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine (PubChem CID 3123643) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
PubChem CID3123643
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H26N2/c1-17-15-19(18(2)25(17)22-9-7-6-8-10-22)16-24-21-13-11-20(12-14-21)23(3,4)5/h6-16H,1-5H3/b24-16+
InChIKeyUMGIXOMWAYRSHK-LFVJCYFKSA-N
XLogP6.14
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
CID 2321774
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
CID 793172
4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
CID 1275213
4-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid
CID 94845447
N-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylacetamide
CID 126007032
(5Z)-5-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 124583537
1-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 780818
N-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
CID 3650834
1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine
CID 94845458
methyl N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]carbamate
CID 6289784
1-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 5011021
2-[3-[(4-chlorophenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 126209131

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine (CID 3123643) is N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine is Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine?
The InChIKey is UMGIXOMWAYRSHK-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H26N2/c1-17-15-19(18(2)25(17)22-9-7-6-8-10-22)16-24-21-13-11-20(12-14-21)23(3,4)5/h6-16H,1-5H3/b24-16+.
What are the key properties of N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine?
N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine has a molecular weight of 330.48 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine is sourced from PubChem (CID 3123643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).