[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid

C24H17FN6O3 — CID 134362546

IUPAC[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid
SMILESCc1nc2c(C(N)=O)cc(-c3ccnc(NC(=O)O)c3)cc2n1-c1ccnc2cccc(F)c12
InChIInChI=1S/C24H17FN6O3/c1-12-29-22-15(23(26)32)9-14(13-5-7-28-20(11-13)30-24(33)34)10-19(22)31(12)18-6-8-27-17-4-2-3-16(25)21(17)18/h2-11H,1H3,(H2,26,32)(H,28,30)(H,33,34)
InChIKeyFJADPWUAZHUMRT-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.27
Rot. Bonds4

About [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid

[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid (PubChem CID 134362546) has the molecular formula C24H17FN6O3 and a molecular weight of 456.44 g/mol. Its IUPAC name is [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid
PubChem CID134362546
Molecular FormulaC24H17FN6O3
Molecular Weight456.44 g/mol
Exact Mass456.13
IUPAC Name[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid
SMILESCc1nc2c(C(N)=O)cc(-c3ccnc(NC(=O)O)c3)cc2n1-c1ccnc2cccc(F)c12
InChIInChI=1S/C24H17FN6O3/c1-12-29-22-15(23(26)32)9-14(13-5-7-28-20(11-13)30-24(33)34)10-19(22)31(12)18-6-8-27-17-4-2-3-16(25)21(17)18/h2-11H,1H3,(H2,26,32)(H,28,30)(H,33,34)
InChIKeyFJADPWUAZHUMRT-UHFFFAOYSA-N
XLogP4.27
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid (CID 134362546) is [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid is Cc1nc2c(C(N)=O)cc(-c3ccnc(NC(=O)O)c3)cc2n1-c1ccnc2cccc(F)c12.
What is the InChIKey of [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid?
The InChIKey is FJADPWUAZHUMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O3/c1-12-29-22-15(23(26)32)9-14(13-5-7-28-20(11-13)30-24(33)34)10-19(22)31(12)18-6-8-27-17-4-2-3-16(25)21(17)18/h2-11H,1H3,(H2,26,32)(H,28,30)(H,33,34).
What are the key properties of [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid?
[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid has a molecular weight of 456.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 134362546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).