N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide

C24H26F2N4O2 — CID 66683255

IUPACN-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(OC(F)F)cc2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26F2N4O2/c1-28(20-11-13-29(14-12-20)15-18-5-3-2-4-6-18)24(31)30-16-22(27-17-30)19-7-9-21(10-8-19)32-23(25)26/h2-10,16-17,20,23H,11-15H2,1H3
InChIKeyXCYDNUWYSXCPDS-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.72
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide

N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide (PubChem CID 66683255) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide
PubChem CID66683255
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(OC(F)F)cc2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26F2N4O2/c1-28(20-11-13-29(14-12-20)15-18-5-3-2-4-6-18)24(31)30-16-22(27-17-30)19-7-9-21(10-8-19)32-23(25)26/h2-10,16-17,20,23H,11-15H2,1H3
InChIKeyXCYDNUWYSXCPDS-UHFFFAOYSA-N
XLogP4.72
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide (CID 66683255) is N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccc(OC(F)F)cc2)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide?
The InChIKey is XCYDNUWYSXCPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-28(20-11-13-29(14-12-20)15-18-5-3-2-4-6-18)24(31)30-16-22(27-17-30)19-7-9-21(10-8-19)32-23(25)26/h2-10,16-17,20,23H,11-15H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 66683255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).