(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

C24H33N5O — CID 91947259

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)nc2ccccc21
InChIInChI=1S/C24H33N5O/c1-6-13-29-19-12-8-7-11-18(19)25-22(29)17-10-9-14-28(16-17)23(30)20-15-21(24(2,3)4)26-27(20)5/h7-8,11-12,15,17H,6,9-10,13-14,16H2,1-5H3
InChIKeyPFJIPKJXLIKIDI-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.50
Rot. Bonds4

About (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91947259) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91947259
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)nc2ccccc21
InChIInChI=1S/C24H33N5O/c1-6-13-29-19-12-8-7-11-18(19)25-22(29)17-10-9-14-28(16-17)23(30)20-15-21(24(2,3)4)26-27(20)5/h7-8,11-12,15,17H,6,9-10,13-14,16H2,1-5H3
InChIKeyPFJIPKJXLIKIDI-UHFFFAOYSA-N
XLogP4.50
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947263
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222
(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
(6-methyl-1,2,4-benzotriazin-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947275
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947291
(3,5-dimethyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947243
(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947244
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947319
1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 91947231

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91947259) is (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is CCCn1c(C2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)nc2ccccc21.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PFJIPKJXLIKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-6-13-29-19-12-8-7-11-18(19)25-22(29)17-10-9-14-28(16-17)23(30)20-15-21(24(2,3)4)26-27(20)5/h7-8,11-12,15,17H,6,9-10,13-14,16H2,1-5H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 407.56 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91947259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).