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

C18H21N5O — CID 124941822

IUPAC(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCC[C@H]3c3[nH]ncc3C)cc2[nH]1
InChIInChI=1S/C18H21N5O/c1-11-10-19-22-17(11)16-5-3-4-8-23(16)18(24)13-6-7-14-15(9-13)21-12(2)20-14/h6-7,9-10,16H,3-5,8H2,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyAQASAZWAUFGLDO-INIZCTEOSA-N
MW323.40 g/mol
LogP3.27
Rot. Bonds2

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

(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124941822) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID124941822
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCCC[C@H]3c3[nH]ncc3C)cc2[nH]1
InChIInChI=1S/C18H21N5O/c1-11-10-19-22-17(11)16-5-3-4-8-23(16)18(24)13-6-7-14-15(9-13)21-12(2)20-14/h6-7,9-10,16H,3-5,8H2,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyAQASAZWAUFGLDO-INIZCTEOSA-N
XLogP3.27
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
(2-methyl-3H-benzimidazol-5-yl)-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92623249
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 67223557
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92637289
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132375
[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110253708
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 124941822) is (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCCC[C@H]3c3[nH]ncc3C)cc2[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AQASAZWAUFGLDO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-10-19-22-17(11)16-5-3-4-8-23(16)18(24)13-6-7-14-15(9-13)21-12(2)20-14/h6-7,9-10,16H,3-5,8H2,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124941822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).