2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide

C18H20F2N4OS — CID 49019919

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCc1csc(CCNC(=O)C(C(C)C)n2cnc3cc(F)c(F)cc32)n1
InChIInChI=1S/C18H20F2N4OS/c1-10(2)17(18(25)21-5-4-16-23-11(3)8-26-16)24-9-22-14-6-12(19)13(20)7-15(14)24/h6-10,17H,4-5H2,1-3H3,(H,21,25)
InChIKeyNTCZBXXZCGSKST-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.64
Rot. Bonds6

About 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide

2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 49019919) has the molecular formula C18H20F2N4OS and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID49019919
Molecular FormulaC18H20F2N4OS
Molecular Weight378.45 g/mol
Exact Mass378.13
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCc1csc(CCNC(=O)C(C(C)C)n2cnc3cc(F)c(F)cc32)n1
InChIInChI=1S/C18H20F2N4OS/c1-10(2)17(18(25)21-5-4-16-23-11(3)8-26-16)24-9-22-14-6-12(19)13(20)7-15(14)24/h6-10,17H,4-5H2,1-3H3,(H,21,25)
InChIKeyNTCZBXXZCGSKST-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide (CID 49019919) is 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide is Cc1csc(CCNC(=O)C(C(C)C)n2cnc3cc(F)c(F)cc32)n1.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is NTCZBXXZCGSKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4OS/c1-10(2)17(18(25)21-5-4-16-23-11(3)8-26-16)24-9-22-14-6-12(19)13(20)7-15(14)24/h6-10,17H,4-5H2,1-3H3,(H,21,25).
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 378.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 49019919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).