5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole

C15H12Cl3N3 — CID 141221175

IUPAC5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2cncc(Cl)c2)nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H12Cl3N3/c1-2-3-21-14-12(18)5-10(16)6-13(14)20-15(21)9-4-11(17)8-19-7-9/h4-8H,2-3H2,1H3
InChIKeySLVFTXABUWSMFQ-UHFFFAOYSA-N
MW340.64 g/mol
LogP5.47
Rot. Bonds3

About 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole

5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole (PubChem CID 141221175) has the molecular formula C15H12Cl3N3 and a molecular weight of 340.64 g/mol. Its IUPAC name is 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole
PubChem CID141221175
Molecular FormulaC15H12Cl3N3
Molecular Weight340.64 g/mol
Exact Mass339.01
IUPAC Name5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2cncc(Cl)c2)nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H12Cl3N3/c1-2-3-21-14-12(18)5-10(16)6-13(14)20-15(21)9-4-11(17)8-19-7-9/h4-8H,2-3H2,1H3
InChIKeySLVFTXABUWSMFQ-UHFFFAOYSA-N
XLogP5.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole?
The IUPAC name of 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole (CID 141221175) is 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole.
What is the SMILES notation for 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole?
The canonical SMILES for 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole is CCCn1c(-c2cncc(Cl)c2)nc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole?
The InChIKey is SLVFTXABUWSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3/c1-2-3-21-14-12(18)5-10(16)6-13(14)20-15(21)9-4-11(17)8-19-7-9/h4-8H,2-3H2,1H3.
What are the key properties of 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole?
5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole has a molecular weight of 340.64 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole is sourced from PubChem (CID 141221175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).