N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide

C25H23N5O3S — CID 86282424

IUPACN-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)C3CC3)nc12
InChIInChI=1S/C25H23N5O3S/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-16(23-14(2)29-33-15(23)3)12-21-24(19)28-25(27-21)30-34(31,32)17-7-8-17/h4-6,9-12,17H,7-8H2,1-3H3,(H2,27,28,30)
InChIKeyNVPIKIOJVKDTII-UHFFFAOYSA-N
MW473.56 g/mol
LogP5.26
Rot. Bonds5

About N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide

N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide (PubChem CID 86282424) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
PubChem CID86282424
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)C3CC3)nc12
InChIInChI=1S/C25H23N5O3S/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-16(23-14(2)29-33-15(23)3)12-21-24(19)28-25(27-21)30-34(31,32)17-7-8-17/h4-6,9-12,17H,7-8H2,1-3H3,(H2,27,28,30)
InChIKeyNVPIKIOJVKDTII-UHFFFAOYSA-N
XLogP5.26
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide (CID 86282424) is N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide is Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)C3CC3)nc12.
What is the InChIKey of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?
The InChIKey is NVPIKIOJVKDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-16(23-14(2)29-33-15(23)3)12-21-24(19)28-25(27-21)30-34(31,32)17-7-8-17/h4-6,9-12,17H,7-8H2,1-3H3,(H2,27,28,30).
What are the key properties of N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?
N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide has a molecular weight of 473.56 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 86282424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).