5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine

C19H11Cl4N3 — CID 44562567

IUPAC5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine
SMILESClc1ccc(-n2c(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H11Cl4N3/c20-11-1-5-14(6-2-11)26-18-8-3-12(21)9-17(18)25-19(26)24-13-4-7-15(22)16(23)10-13/h1-10H,(H,24,25)
InChIKeyUZMUWRIAWSRDEC-UHFFFAOYSA-N
MW423.13 g/mol
LogP7.38
Rot. Bonds3

About 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine

5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine (PubChem CID 44562567) has the molecular formula C19H11Cl4N3 and a molecular weight of 423.13 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine
PubChem CID44562567
Molecular FormulaC19H11Cl4N3
Molecular Weight423.13 g/mol
Exact Mass420.97
IUPAC Name5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine
SMILESClc1ccc(-n2c(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H11Cl4N3/c20-11-1-5-14(6-2-11)26-18-8-3-12(21)9-17(18)25-19(26)24-13-4-7-15(22)16(23)10-13/h1-10H,(H,24,25)
InChIKeyUZMUWRIAWSRDEC-UHFFFAOYSA-N
XLogP7.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.13
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine (CID 44562567) is 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine is Clc1ccc(-n2c(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine?
The InChIKey is UZMUWRIAWSRDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N3/c20-11-1-5-14(6-2-11)26-18-8-3-12(21)9-17(18)25-19(26)24-13-4-7-15(22)16(23)10-13/h1-10H,(H,24,25).
What are the key properties of 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine?
5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine has a molecular weight of 423.13 g/mol, XLogP of 7.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 44562567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).