(1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C19H23N5O — CID 110219199

IUPAC(1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCCC2c2nc3ccc(C)cc3[nH]2)cn1
InChIInChI=1S/C19H23N5O/c1-3-23-12-14(11-20-23)19(25)24-9-5-4-6-17(24)18-21-15-8-7-13(2)10-16(15)22-18/h7-8,10-12,17H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyWXXVVTFDLGOHRS-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.46
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110219199) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID110219199
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCCC2c2nc3ccc(C)cc3[nH]2)cn1
InChIInChI=1S/C19H23N5O/c1-3-23-12-14(11-20-23)19(25)24-9-5-4-6-17(24)18-21-15-8-7-13(2)10-16(15)22-18/h7-8,10-12,17H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyWXXVVTFDLGOHRS-UHFFFAOYSA-N
XLogP3.46
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-ethyl-1,3-thiazol-5-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70738485
[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124614174
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
isoquinolin-1-yl-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60612000
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70710523
2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56885278
cis-(1S,3R)-2,2-dimethyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122065924
2-[4-(hydroxymethyl)phenyl]-1-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95871688
5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56881866
7-(cyclohexylmethyl)-2-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795754
[(2S)-1,4-dithian-2-yl]-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124628586
4-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94876669

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 110219199) is (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCCCC2c2nc3ccc(C)cc3[nH]2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is WXXVVTFDLGOHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-23-12-14(11-20-23)19(25)24-9-5-4-6-17(24)18-21-15-8-7-13(2)10-16(15)22-18/h7-8,10-12,17H,3-6,9H2,1-2H3,(H,21,22).
What are the key properties of (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110219199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).