N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine

C18H17Cl2N3 — CID 2311626

IUPACN-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine
SMILESCC(C)(C)n1cnc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C18H17Cl2N3/c1-18(2,3)23-11-22-16-9-14(6-7-17(16)23)21-10-12-4-5-13(19)8-15(12)20/h4-11H,1-3H3/b21-10+
InChIKeyDYKYIXBDJKDHQB-UFFVCSGVSA-N
MW346.26 g/mol
LogP5.85
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine

N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine (PubChem CID 2311626) has the molecular formula C18H17Cl2N3 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine
PubChem CID2311626
Molecular FormulaC18H17Cl2N3
Molecular Weight346.26 g/mol
Exact Mass345.08
IUPAC NameN-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine
SMILESCC(C)(C)n1cnc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C18H17Cl2N3/c1-18(2,3)23-11-22-16-9-14(6-7-17(16)23)21-10-12-4-5-13(19)8-15(12)20/h4-11H,1-3H3/b21-10+
InChIKeyDYKYIXBDJKDHQB-UFFVCSGVSA-N
XLogP5.85
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine (CID 2311626) is N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine is CC(C)(C)n1cnc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is DYKYIXBDJKDHQB-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H17Cl2N3/c1-18(2,3)23-11-22-16-9-14(6-7-17(16)23)21-10-12-4-5-13(19)8-15(12)20/h4-11H,1-3H3/b21-10+.
What are the key properties of N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine?
N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine has a molecular weight of 346.26 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-5-yl)-1-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 2311626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).