(5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C20H22N4O — CID 136563085

IUPAC(5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C20H22N4O/c25-20(24-13-5-4-8-18(24)19-21-11-12-22-19)17-10-9-16(23-17)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18,23H,4-5,8,13-14H2,(H,21,22)
InChIKeyUNJFEKOQGXCFAO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.70
Rot. Bonds4

About (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone

(5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 136563085) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID136563085
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C20H22N4O/c25-20(24-13-5-4-8-18(24)19-21-11-12-22-19)17-10-9-16(23-17)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18,23H,4-5,8,13-14H2,(H,21,22)
InChIKeyUNJFEKOQGXCFAO-UHFFFAOYSA-N
XLogP3.70
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
[(3aS,6R,6aR)-6-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-(5-benzyl-1H-pyrrol-2-yl)methanone
CID 136586705
(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 136565445
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CID 97084883
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CID 124860819
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CID 97028237
6-[2-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 56822307
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531
4-(2-chlorophenoxy)-1-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97255879
2-(2-ethylbenzimidazol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 138993183
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 47089015
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Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 136563085) is (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCCC1c1ncc[nH]1.
What is the InChIKey of (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UNJFEKOQGXCFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(24-13-5-4-8-18(24)19-21-11-12-22-19)17-10-9-16(23-17)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18,23H,4-5,8,13-14H2,(H,21,22).
What are the key properties of (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
(5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1H-pyrrol-2-yl)-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136563085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).