1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine

C20H14ClN3 — CID 15999560

IUPAC1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
SMILESClc1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C20H14ClN3/c21-16-8-6-14(7-9-16)13-22-17-10-11-18-19(12-17)24-20(23-18)15-4-2-1-3-5-15/h1-13H,(H,23,24)/b22-13+
InChIKeyPHIWIDDEEQTCSD-LPYMAVHISA-N
MW331.81 g/mol
LogP5.63
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine

1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine (PubChem CID 15999560) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
PubChem CID15999560
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
SMILESClc1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C20H14ClN3/c21-16-8-6-14(7-9-16)13-22-17-10-11-18-19(12-17)24-20(23-18)15-4-2-1-3-5-15/h1-13H,(H,23,24)/b22-13+
InChIKeyPHIWIDDEEQTCSD-LPYMAVHISA-N
XLogP5.63
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine (CID 15999560) is 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine is Clc1ccc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
The InChIKey is PHIWIDDEEQTCSD-LPYMAVHISA-N. The full InChI is InChI=1S/C20H14ClN3/c21-16-8-6-14(7-9-16)13-22-17-10-11-18-19(12-17)24-20(23-18)15-4-2-1-3-5-15/h1-13H,(H,23,24)/b22-13+.
What are the key properties of 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine has a molecular weight of 331.81 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine is sourced from PubChem (CID 15999560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).