2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

C22H25FN4O2 — CID 649329

IUPAC2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(F)ccc32)CC1
InChIInChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyMNAIGPDCLNXHFZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.77
Rot. Bonds5

About 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 649329) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID649329
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(F)ccc32)CC1
InChIInChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyMNAIGPDCLNXHFZ-UHFFFAOYSA-N
XLogP3.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 649329) is 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(F)ccc32)CC1.
What is the InChIKey of 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MNAIGPDCLNXHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 649329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).