[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone

C30H31N3O — CID 11166820

IUPAC[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1
InChIInChI=1S/C30H31N3O/c1-23-19-24(2)21-26(20-23)28(34)32-16-13-30(14-17-32,27-11-7-4-8-12-27)29-31-15-18-33(29)22-25-9-5-3-6-10-25/h3-12,15,18-21H,13-14,16-17,22H2,1-2H3
InChIKeyDMVZSSRQHPZHFZ-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.77
Rot. Bonds5

About [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone

[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 11166820) has the molecular formula C30H31N3O and a molecular weight of 449.60 g/mol. Its IUPAC name is [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone
PubChem CID11166820
Molecular FormulaC30H31N3O
Molecular Weight449.60 g/mol
Exact Mass449.25
IUPAC Name[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1
InChIInChI=1S/C30H31N3O/c1-23-19-24(2)21-26(20-23)28(34)32-16-13-30(14-17-32,27-11-7-4-8-12-27)29-31-15-18-33(29)22-25-9-5-3-6-10-25/h3-12,15,18-21H,13-14,16-17,22H2,1-2H3
InChIKeyDMVZSSRQHPZHFZ-UHFFFAOYSA-N
XLogP5.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone (CID 11166820) is [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1.
What is the InChIKey of [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is DMVZSSRQHPZHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O/c1-23-19-24(2)21-26(20-23)28(34)32-16-13-30(14-17-32,27-11-7-4-8-12-27)29-31-15-18-33(29)22-25-9-5-3-6-10-25/h3-12,15,18-21H,13-14,16-17,22H2,1-2H3.
What are the key properties of [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone?
[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 449.60 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 11166820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).