N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide

C24H16Cl2N4OS — CID 19592790

IUPACN-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C24H16Cl2N4OS/c1-13-12-27-21-14(22(13)32-24-29-17-9-2-3-10-18(17)30-24)6-4-11-19(21)28-23(31)20-15(25)7-5-8-16(20)26/h2-12H,1H3,(H,28,31)(H,29,30)
InChIKeyRSOLKYWNQNUTOX-UHFFFAOYSA-N
MW479.39 g/mol
LogP7.13
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide

N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide (PubChem CID 19592790) has the molecular formula C24H16Cl2N4OS and a molecular weight of 479.39 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide
PubChem CID19592790
Molecular FormulaC24H16Cl2N4OS
Molecular Weight479.39 g/mol
Exact Mass478.04
IUPAC NameN-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C24H16Cl2N4OS/c1-13-12-27-21-14(22(13)32-24-29-17-9-2-3-10-18(17)30-24)6-4-11-19(21)28-23(31)20-15(25)7-5-8-16(20)26/h2-12H,1H3,(H,28,31)(H,29,30)
InChIKeyRSOLKYWNQNUTOX-UHFFFAOYSA-N
XLogP7.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide (CID 19592790) is N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide is Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Sc1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is RSOLKYWNQNUTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4OS/c1-13-12-27-21-14(22(13)32-24-29-17-9-2-3-10-18(17)30-24)6-4-11-19(21)28-23(31)20-15(25)7-5-8-16(20)26/h2-12H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide?
N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 479.39 g/mol, XLogP of 7.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-ylsulfanyl)-3-methylquinolin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 19592790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).