1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine

C23H26ClN3 — CID 3008118

IUPAC1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine
SMILESCc1c(CN2CCN(C)CC2)cc(-c2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C23H26ClN3/c1-18-19(17-26-14-12-25(2)13-15-26)16-23(21-10-6-7-11-22(21)24)27(18)20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3
InChIKeyOSNXYDKTIBGYOP-UHFFFAOYSA-N
MW379.94 g/mol
LogP4.85
Rot. Bonds4

About 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine

1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine (PubChem CID 3008118) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine
PubChem CID3008118
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine
SMILESCc1c(CN2CCN(C)CC2)cc(-c2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C23H26ClN3/c1-18-19(17-26-14-12-25(2)13-15-26)16-23(21-10-6-7-11-22(21)24)27(18)20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3
InChIKeyOSNXYDKTIBGYOP-UHFFFAOYSA-N
XLogP4.85
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.94
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

BM-212
CID 456926
1-((2-chlorophenyl)methyl)-2,5-dimethyl-1H-pyrrole
CID 2442320
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(1-methylpyrrol-2-yl)methanimine
CID 6884915
N~2~-[2-(2-Chlorophenyl)quinolin-4-yl]-N~1~,N~1~-dimethylethane-1,2-diamine
CID 44422002
7-chloro-4-(4-ethylphenyl)-6H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 10268013
1-Benzyl-3-(4-chloro-phenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 11404955
[6-Benzyl-4-(2,4-dichlorophenyl)-2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]methanamine
CID 15950384
1-benzyl-3-(4-chlorophenyl)-5-isopropyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 53316914
1-benzyl-3-(4-chlorophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 53318219
8-Azabicyclo[3.2.1]octane,8-[bis(2-chlorophenyl)methyl]-3-(2-pyridinyl)-,(3-exo)-
CID 44181744
Exo-8-[bis(2-chlorophenyl)methyl]-3-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 44248791
Exo-8-[bis(2-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 44248916

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine (CID 3008118) is 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine is Cc1c(CN2CCN(C)CC2)cc(-c2ccccc2Cl)n1-c1ccccc1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine?
The InChIKey is OSNXYDKTIBGYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-18-19(17-26-14-12-25(2)13-15-26)16-23(21-10-6-7-11-22(21)24)27(18)20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine?
1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine has a molecular weight of 379.94 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 3008118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).