2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide

C25H26FN5O3 — CID 122642172

IUPAC2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(CCc1cncc(F)c1)n2CC(=O)NC1CCOC1
InChIInChI=1S/C25H26FN5O3/c1-15-25(16(2)34-30-15)18-4-5-22-21(10-18)29-23(6-3-17-9-19(26)12-27-11-17)31(22)13-24(32)28-20-7-8-33-14-20/h4-5,9-12,20H,3,6-8,13-14H2,1-2H3,(H,28,32)
InChIKeyRNMVWVUROTZYMJ-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.53
Rot. Bonds7

About 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide (PubChem CID 122642172) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide
PubChem CID122642172
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(CCc1cncc(F)c1)n2CC(=O)NC1CCOC1
InChIInChI=1S/C25H26FN5O3/c1-15-25(16(2)34-30-15)18-4-5-22-21(10-18)29-23(6-3-17-9-19(26)12-27-11-17)31(22)13-24(32)28-20-7-8-33-14-20/h4-5,9-12,20H,3,6-8,13-14H2,1-2H3,(H,28,32)
InChIKeyRNMVWVUROTZYMJ-UHFFFAOYSA-N
XLogP3.53
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide?
The IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide (CID 122642172) is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide is Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1cncc(F)c1)n2CC(=O)NC1CCOC1.
What is the InChIKey of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide?
The InChIKey is RNMVWVUROTZYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-15-25(16(2)34-30-15)18-4-5-22-21(10-18)29-23(6-3-17-9-19(26)12-27-11-17)31(22)13-24(32)28-20-7-8-33-14-20/h4-5,9-12,20H,3,6-8,13-14H2,1-2H3,(H,28,32).
What are the key properties of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide?
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide has a molecular weight of 463.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-fluoro-3-pyridinyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide is sourced from PubChem (CID 122642172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).