[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

C22H29N5O — CID 91947211

IUPAC[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCC(c2nc3ccccc3n2CCC)C1
InChIInChI=1S/C22H29N5O/c1-3-13-26-19-10-6-5-9-18(19)24-21(26)17-8-7-15-25(16-17)22(28)20-11-12-23-27(20)14-4-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3
InChIKeyFSASLMKOGFFCOF-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.07
Rot. Bonds6

About [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 91947211) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
PubChem CID91947211
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCC(c2nc3ccccc3n2CCC)C1
InChIInChI=1S/C22H29N5O/c1-3-13-26-19-10-6-5-9-18(19)24-21(26)17-8-7-15-25(16-17)22(28)20-11-12-23-27(20)14-4-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3
InChIKeyFSASLMKOGFFCOF-UHFFFAOYSA-N
XLogP4.07
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947259
(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947244
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222
(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947263
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317
(3,5-dimethyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947243
(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
[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947319
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 91947285

Frequently Asked Questions

What is the IUPAC name of [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (CID 91947211) is [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)N1CCCC(c2nc3ccccc3n2CCC)C1.
What is the InChIKey of [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is FSASLMKOGFFCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-13-26-19-10-6-5-9-18(19)24-21(26)17-8-7-15-25(16-17)22(28)20-11-12-23-27(20)14-4-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3.
What are the key properties of [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 91947211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).