2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C23H32N6O — CID 46976995

IUPAC2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C23H32N6O/c1-15(2)29-20-11-7-6-10-19(20)24-23(29)18-9-8-12-28(13-18)14-21(30)25-22-16(3)26-27(5)17(22)4/h6-7,10-11,15,18H,8-9,12-14H2,1-5H3,(H,25,30)
InChIKeyCZBUDOQXTYZVBX-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.79
Rot. Bonds5

About 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 46976995) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID46976995
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C23H32N6O/c1-15(2)29-20-11-7-6-10-19(20)24-23(29)18-9-8-12-28(13-18)14-21(30)25-22-16(3)26-27(5)17(22)4/h6-7,10-11,15,18H,8-9,12-14H2,1-5H3,(H,25,30)
InChIKeyCZBUDOQXTYZVBX-UHFFFAOYSA-N
XLogP3.79
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 144939729
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 92626417
N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 86951949
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86827343
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 92626286

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 46976995) is 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCCC(c2nc3ccccc3n2C(C)C)C1.
What is the InChIKey of 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is CZBUDOQXTYZVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-15(2)29-20-11-7-6-10-19(20)24-23(29)18-9-8-12-28(13-18)14-21(30)25-22-16(3)26-27(5)17(22)4/h6-7,10-11,15,18H,8-9,12-14H2,1-5H3,(H,25,30).
What are the key properties of 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 408.55 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 46976995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).