1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone

C37H37F2N3O2 — CID 18437757

IUPAC1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C37H37F2N3O2/c1-3-4-23-42-34(35(31-11-7-5-8-12-31)40-36(42)32-13-9-6-10-14-32)26-41(24-28-15-19-30(20-16-28)27(2)43)25-29-17-21-33(22-18-29)44-37(38)39/h5-22,37H,3-4,23-26H2,1-2H3
InChIKeyPEUFSPJAKNEEBS-UHFFFAOYSA-N
MW593.72 g/mol
LogP9.02
Rot. Bonds14

About 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone

1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone (PubChem CID 18437757) has the molecular formula C37H37F2N3O2 and a molecular weight of 593.72 g/mol. Its IUPAC name is 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
PubChem CID18437757
Molecular FormulaC37H37F2N3O2
Molecular Weight593.72 g/mol
Exact Mass593.29
IUPAC Name1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C37H37F2N3O2/c1-3-4-23-42-34(35(31-11-7-5-8-12-31)40-36(42)32-13-9-6-10-14-32)26-41(24-28-15-19-30(20-16-28)27(2)43)25-29-17-21-33(22-18-29)44-37(38)39/h5-22,37H,3-4,23-26H2,1-2H3
InChIKeyPEUFSPJAKNEEBS-UHFFFAOYSA-N
XLogP9.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.72
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone with MolForge

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Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]cyclohexane-1,2-diol
CID 18437915
N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
CID 18438552
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-(3,4-dihydroquinolin-6-ylmethyl)methanamine
CID 140576048
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 18437564
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108
N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 142815143
4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide
CID 10196408
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(3-ethoxyphenyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 18437556
methyl 3-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]-5-methoxybenzoate
CID 91254611
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
N-[(5-bromo-3-butyl-2-phenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 58818081

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone (CID 18437757) is 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
The InChIKey is PEUFSPJAKNEEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F2N3O2/c1-3-4-23-42-34(35(31-11-7-5-8-12-31)40-36(42)32-13-9-6-10-14-32)26-41(24-28-15-19-30(20-16-28)27(2)43)25-29-17-21-33(22-18-29)44-37(38)39/h5-22,37H,3-4,23-26H2,1-2H3.
What are the key properties of 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone?
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone has a molecular weight of 593.72 g/mol, XLogP of 9.02, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone is sourced from PubChem (CID 18437757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).