5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline

C24H15F2N7 — CID 134372848

IUPAC5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
SMILESCc1nc2c(-c3ncn[nH]3)cc(-c3ccncc3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32)
InChIKeyHDLCAAPRCRFECO-UHFFFAOYSA-N
MW439.43 g/mol
LogP5.01
Rot. Bonds3

About 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline

5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline (PubChem CID 134372848) has the molecular formula C24H15F2N7 and a molecular weight of 439.43 g/mol. Its IUPAC name is 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline.

Molecular Properties

Compound Name5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
PubChem CID134372848
Molecular FormulaC24H15F2N7
Molecular Weight439.43 g/mol
Exact Mass439.14
IUPAC Name5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
SMILESCc1nc2c(-c3ncn[nH]3)cc(-c3ccncc3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32)
InChIKeyHDLCAAPRCRFECO-UHFFFAOYSA-N
XLogP5.01
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
The IUPAC name of 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline (CID 134372848) is 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline.
What is the SMILES notation for 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
The canonical SMILES for 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline is Cc1nc2c(-c3ncn[nH]3)cc(-c3ccncc3)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
The InChIKey is HDLCAAPRCRFECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32).
What are the key properties of 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline has a molecular weight of 439.43 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline is sourced from PubChem (CID 134372848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).