N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine

C25H30ClF2N3O — CID 142815143

IUPACN-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCCn1c(-c2ccccc2)nc(Cl)c1CN(CCC)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C25H30ClF2N3O/c1-3-5-16-31-22(23(26)29-24(31)20-9-7-6-8-10-20)18-30(15-4-2)17-19-11-13-21(14-12-19)32-25(27)28/h6-14,25H,3-5,15-18H2,1-2H3
InChIKeyJASJRJQMYDAFTG-UHFFFAOYSA-N
MW461.98 g/mol
LogP7.02
Rot. Bonds12

About N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine

N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 142815143) has the molecular formula C25H30ClF2N3O and a molecular weight of 461.98 g/mol. Its IUPAC name is N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID142815143
Molecular FormulaC25H30ClF2N3O
Molecular Weight461.98 g/mol
Exact Mass461.20
IUPAC NameN-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCCn1c(-c2ccccc2)nc(Cl)c1CN(CCC)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C25H30ClF2N3O/c1-3-5-16-31-22(23(26)29-24(31)20-9-7-6-8-10-20)18-30(15-4-2)17-19-11-13-21(14-12-19)32-25(27)28/h6-14,25H,3-5,15-18H2,1-2H3
InChIKeyJASJRJQMYDAFTG-UHFFFAOYSA-N
XLogP7.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.98
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
CID 18438552
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
N-[(5-bromo-3-butyl-2-phenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 58818081
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]cyclohexane-1,2-diol
CID 18437915
N-[(3-butyl-2,5-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-(1,1-difluoroethyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 142815102
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
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-5-chloro-2-phenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
CID 18438414
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(3-ethoxyphenyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 18437556
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine (CID 142815143) is N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine is CCCCn1c(-c2ccccc2)nc(Cl)c1CN(CCC)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is JASJRJQMYDAFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClF2N3O/c1-3-5-16-31-22(23(26)29-24(31)20-9-7-6-8-10-20)18-30(15-4-2)17-19-11-13-21(14-12-19)32-25(27)28/h6-14,25H,3-5,15-18H2,1-2H3.
What are the key properties of N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 461.98 g/mol, XLogP of 7.02, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 142815143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).