2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole

C15H12ClF2N3 — CID 141221153

IUPAC2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole
SMILESCCCn1c(-c2cncc(Cl)c2)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H12ClF2N3/c1-2-5-21-14-12(4-3-11(17)13(14)18)20-15(21)9-6-10(16)8-19-7-9/h3-4,6-8H,2,5H2,1H3
InChIKeySDBDZNWALXWXFT-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.44
Rot. Bonds3

About 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole

2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole (PubChem CID 141221153) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole
PubChem CID141221153
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole
SMILESCCCn1c(-c2cncc(Cl)c2)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H12ClF2N3/c1-2-5-21-14-12(4-3-11(17)13(14)18)20-15(21)9-6-10(16)8-19-7-9/h3-4,6-8H,2,5H2,1H3
InChIKeySDBDZNWALXWXFT-UHFFFAOYSA-N
XLogP4.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole?
The IUPAC name of 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole (CID 141221153) is 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole.
What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole?
The canonical SMILES for 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole is CCCn1c(-c2cncc(Cl)c2)nc2ccc(F)c(F)c21.
What is the InChIKey of 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole?
The InChIKey is SDBDZNWALXWXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c1-2-5-21-14-12(4-3-11(17)13(14)18)20-15(21)9-6-10(16)8-19-7-9/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole?
2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole has a molecular weight of 307.73 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole is sourced from PubChem (CID 141221153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).