[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C25H29N3OS — CID 56763974

IUPAC[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C25H29N3OS/c29-24(25(12-4-5-13-25)22-9-6-18-30-22)27-15-10-20(11-16-27)19-28-17-14-26-23(28)21-7-2-1-3-8-21/h1-3,6-9,14,17-18,20H,4-5,10-13,15-16,19H2
InChIKeyVGDWBYKMLBJKEP-UHFFFAOYSA-N
MW419.59 g/mol
LogP5.36
Rot. Bonds5

About [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 56763974) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID56763974
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC Name[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C25H29N3OS/c29-24(25(12-4-5-13-25)22-9-6-18-30-22)27-15-10-20(11-16-27)19-28-17-14-26-23(28)21-7-2-1-3-8-21/h1-3,6-9,14,17-18,20H,4-5,10-13,15-16,19H2
InChIKeyVGDWBYKMLBJKEP-UHFFFAOYSA-N
XLogP5.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 56763974) is [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is VGDWBYKMLBJKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c29-24(25(12-4-5-13-25)22-9-6-18-30-22)27-15-10-20(11-16-27)19-28-17-14-26-23(28)21-7-2-1-3-8-21/h1-3,6-9,14,17-18,20H,4-5,10-13,15-16,19H2.
What are the key properties of [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 419.59 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 56763974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).