2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine

C18H15ClN2 — CID 59583382

IUPAC2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine
SMILESCc1ccc(C2Nc3cccc4cccc(c34)N2)c(Cl)c1
InChIInChI=1S/C18H15ClN2/c1-11-8-9-13(14(19)10-11)18-20-15-6-2-4-12-5-3-7-16(21-18)17(12)15/h2-10,18,20-21H,1H3
InChIKeyDCDSCSJQRNCWIR-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.34
Rot. Bonds1

About 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine

2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 59583382) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine
PubChem CID59583382
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine
SMILESCc1ccc(C2Nc3cccc4cccc(c34)N2)c(Cl)c1
InChIInChI=1S/C18H15ClN2/c1-11-8-9-13(14(19)10-11)18-20-15-6-2-4-12-5-3-7-16(21-18)17(12)15/h2-10,18,20-21H,1H3
InChIKeyDCDSCSJQRNCWIR-UHFFFAOYSA-N
XLogP5.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine (CID 59583382) is 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine is Cc1ccc(C2Nc3cccc4cccc(c34)N2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is DCDSCSJQRNCWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c1-11-8-9-13(14(19)10-11)18-20-15-6-2-4-12-5-3-7-16(21-18)17(12)15/h2-10,18,20-21H,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine?
2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 294.79 g/mol, XLogP of 5.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 59583382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).