N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide

C24H17FN4O2 — CID 55965227

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c2ccccc21
InChIInChI=1S/C24H17FN4O2/c1-29-21-5-3-2-4-17(21)18(13-22(29)30)24(31)26-16-10-11-19-20(12-16)28-23(27-19)14-6-8-15(25)9-7-14/h2-13H,1H3,(H,26,31)(H,27,28)
InChIKeyFFZOPJIBLYMOMU-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.47
Rot. Bonds3

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55965227) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55965227
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c2ccccc21
InChIInChI=1S/C24H17FN4O2/c1-29-21-5-3-2-4-17(21)18(13-22(29)30)24(31)26-16-10-11-19-20(12-16)28-23(27-19)14-6-8-15(25)9-7-14/h2-13H,1H3,(H,26,31)(H,27,28)
InChIKeyFFZOPJIBLYMOMU-UHFFFAOYSA-N
XLogP4.47
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
2,3,5,6-tetrafluoro-4-methyl-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20676770
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55863776
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
2-chloro-N-[1-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 60556147
1-ethyl-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]benzotriazole-5-carboxamide
CID 60516536

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55965227) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c2ccccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is FFZOPJIBLYMOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c1-29-21-5-3-2-4-17(21)18(13-22(29)30)24(31)26-16-10-11-19-20(12-16)28-23(27-19)14-6-8-15(25)9-7-14/h2-13H,1H3,(H,26,31)(H,27,28).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55965227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).