1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine

C18H13Cl2N5 — CID 88546934

IUPAC1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine
SMILES[H]/N=c1\n(Cc2ccccc2Cl)c2ccccc2n1-c1ccc(Cl)nn1
InChIInChI=1S/C18H13Cl2N5/c19-13-6-2-1-5-12(13)11-24-14-7-3-4-8-15(14)25(18(24)21)17-10-9-16(20)22-23-17/h1-10,21H,11H2/b21-18+
InChIKeyHJKQZPXRYVBAFV-DYTRJAOYSA-N
MW370.24 g/mol
LogP4.06
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine

1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine (PubChem CID 88546934) has the molecular formula C18H13Cl2N5 and a molecular weight of 370.24 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine
PubChem CID88546934
Molecular FormulaC18H13Cl2N5
Molecular Weight370.24 g/mol
Exact Mass369.05
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine
SMILES[H]/N=c1\n(Cc2ccccc2Cl)c2ccccc2n1-c1ccc(Cl)nn1
InChIInChI=1S/C18H13Cl2N5/c19-13-6-2-1-5-12(13)11-24-14-7-3-4-8-15(14)25(18(24)21)17-10-9-16(20)22-23-17/h1-10,21H,11H2/b21-18+
InChIKeyHJKQZPXRYVBAFV-DYTRJAOYSA-N
XLogP4.06
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine (CID 88546934) is 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine is [H]/N=c1\n(Cc2ccccc2Cl)c2ccccc2n1-c1ccc(Cl)nn1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine?
The InChIKey is HJKQZPXRYVBAFV-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5/c19-13-6-2-1-5-12(13)11-24-14-7-3-4-8-15(14)25(18(24)21)17-10-9-16(20)22-23-17/h1-10,21H,11H2/b21-18+.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine?
1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine has a molecular weight of 370.24 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine is sourced from PubChem (CID 88546934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).