1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide

C23H15F2N5O — CID 134372939

IUPAC1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(-c3ccncc3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C23H15F2N5O/c1-12-29-21-15(23(26)31)10-14(13-4-7-27-8-5-13)11-19(21)30(12)18-6-9-28-22-17(25)3-2-16(24)20(18)22/h2-11H,1H3,(H2,26,31)
InChIKeyKAPIRKDJERQVND-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.32
Rot. Bonds3

About 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide

1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134372939) has the molecular formula C23H15F2N5O and a molecular weight of 415.40 g/mol. Its IUPAC name is 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide
PubChem CID134372939
Molecular FormulaC23H15F2N5O
Molecular Weight415.40 g/mol
Exact Mass415.12
IUPAC Name1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(-c3ccncc3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C23H15F2N5O/c1-12-29-21-15(23(26)31)10-14(13-4-7-27-8-5-13)11-19(21)30(12)18-6-9-28-22-17(25)3-2-16(24)20(18)22/h2-11H,1H3,(H2,26,31)
InChIKeyKAPIRKDJERQVND-UHFFFAOYSA-N
XLogP4.32
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide (CID 134372939) is 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide is Cc1nc2c(C(N)=O)cc(-c3ccncc3)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is KAPIRKDJERQVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O/c1-12-29-21-15(23(26)31)10-14(13-4-7-27-8-5-13)11-19(21)30(12)18-6-9-28-22-17(25)3-2-16(24)20(18)22/h2-11H,1H3,(H2,26,31).
What are the key properties of 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide?
1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-difluoroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134372939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).