(2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C20H25N5O — CID 96576128

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1
InChIInChI=1S/C20H25N5O/c1-4-25-17(11-14(3)23-25)20(26)24-10-6-8-15(12-24)19-21-16-9-5-7-13(2)18(16)22-19/h5,7,9,11,15H,4,6,8,10,12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyNALZEAAQZSWWNY-HNNXBMFYSA-N
MW351.45 g/mol
LogP3.42
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 96576128) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID96576128
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1
InChIInChI=1S/C20H25N5O/c1-4-25-17(11-14(3)23-25)20(26)24-10-6-8-15(12-24)19-21-16-9-5-7-13(2)18(16)22-19/h5,7,9,11,15H,4,6,8,10,12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyNALZEAAQZSWWNY-HNNXBMFYSA-N
XLogP3.42
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 96576128) is (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is CCn1nc(C)cc1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is NALZEAAQZSWWNY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-25-17(11-14(3)23-25)20(26)24-10-6-8-15(12-24)19-21-16-9-5-7-13(2)18(16)22-19/h5,7,9,11,15H,4,6,8,10,12H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 96576128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).