N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide

C32H34F2N4O — CID 11512061

IUPACN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N(C(=O)c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C32H34F2N4O/c1-22(2)30(38(26-15-17-35-18-16-26)32(39)27-14-13-25(33)19-28(27)34)31-36-29(24-11-7-4-8-12-24)21-37(31)20-23-9-5-3-6-10-23/h3-14,19,21-22,26,30,35H,15-18,20H2,1-2H3/t30-/m1/s1
InChIKeyHHXBNQRDQWPGDC-SSEXGKCCSA-N
MW528.65 g/mol
LogP6.47
Rot. Bonds8

About N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide

N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide (PubChem CID 11512061) has the molecular formula C32H34F2N4O and a molecular weight of 528.65 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide
PubChem CID11512061
Molecular FormulaC32H34F2N4O
Molecular Weight528.65 g/mol
Exact Mass528.27
IUPAC NameN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N(C(=O)c1ccc(F)cc1F)C1CCNCC1
InChIInChI=1S/C32H34F2N4O/c1-22(2)30(38(26-15-17-35-18-16-26)32(39)27-14-13-25(33)19-28(27)34)31-36-29(24-11-7-4-8-12-24)21-37(31)20-23-9-5-3-6-10-23/h3-14,19,21-22,26,30,35H,15-18,20H2,1-2H3/t30-/m1/s1
InChIKeyHHXBNQRDQWPGDC-SSEXGKCCSA-N
XLogP6.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide (CID 11512061) is N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide is CC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N(C(=O)c1ccc(F)cc1F)C1CCNCC1.
What is the InChIKey of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide?
The InChIKey is HHXBNQRDQWPGDC-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H34F2N4O/c1-22(2)30(38(26-15-17-35-18-16-26)32(39)27-14-13-25(33)19-28(27)34)31-36-29(24-11-7-4-8-12-24)21-37(31)20-23-9-5-3-6-10-23/h3-14,19,21-22,26,30,35H,15-18,20H2,1-2H3/t30-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide?
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide has a molecular weight of 528.65 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-2,4-difluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 11512061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).