2-(2,4-dichlorophenyl)-1-propylbenzimidazole

C16H14Cl2N2 — CID 16987669

IUPAC2-(2,4-dichlorophenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C16H14Cl2N2/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)12-8-7-11(17)10-13(12)18/h3-8,10H,2,9H2,1H3
InChIKeyKNJXISRIRSZZML-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.42
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-propylbenzimidazole

2-(2,4-dichlorophenyl)-1-propylbenzimidazole (PubChem CID 16987669) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-propylbenzimidazole
PubChem CID16987669
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2-(2,4-dichlorophenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C16H14Cl2N2/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)12-8-7-11(17)10-13(12)18/h3-8,10H,2,9H2,1H3
InChIKeyKNJXISRIRSZZML-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-propylbenzimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-propylbenzimidazole (CID 16987669) is 2-(2,4-dichlorophenyl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-propylbenzimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-propylbenzimidazole is CCCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-propylbenzimidazole?
The InChIKey is KNJXISRIRSZZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-2-9-20-15-6-4-3-5-14(15)19-16(20)12-8-7-11(17)10-13(12)18/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-propylbenzimidazole?
2-(2,4-dichlorophenyl)-1-propylbenzimidazole has a molecular weight of 305.21 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-propylbenzimidazole is sourced from PubChem (CID 16987669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).