N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine

C29H33N3O — CID 10274945

IUPACN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(CN(Cc2ccccc2)Cc2ccc(OC)cc2)cnc1-c1ccccc1
InChIInChI=1S/C29H33N3O/c1-3-4-19-32-27(20-30-29(32)26-13-9-6-10-14-26)23-31(21-24-11-7-5-8-12-24)22-25-15-17-28(33-2)18-16-25/h5-18,20H,3-4,19,21-23H2,1-2H3
InChIKeyNGALLSWMSDXLMH-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.56
Rot. Bonds11

About N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 10274945) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID10274945
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(CN(Cc2ccccc2)Cc2ccc(OC)cc2)cnc1-c1ccccc1
InChIInChI=1S/C29H33N3O/c1-3-4-19-32-27(20-30-29(32)26-13-9-6-10-14-26)23-31(21-24-11-7-5-8-12-24)22-25-15-17-28(33-2)18-16-25/h5-18,20H,3-4,19,21-23H2,1-2H3
InChIKeyNGALLSWMSDXLMH-UHFFFAOYSA-N
XLogP6.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
CID 10181651
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69326007
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69327340
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
CID 69325911
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine
CID 69325821
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenyl-N-[(2-phenyl-3-propylimidazol-4-yl)methyl]methanamine
CID 10161292
4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol
CID 69326229
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-2-phenylethanamine
CID 69326113
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 69325492

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine (CID 10274945) is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine is CCCCn1c(CN(Cc2ccccc2)Cc2ccc(OC)cc2)cnc1-c1ccccc1.
What is the InChIKey of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is NGALLSWMSDXLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-3-4-19-32-27(20-30-29(32)26-13-9-6-10-14-26)23-31(21-24-11-7-5-8-12-24)22-25-15-17-28(33-2)18-16-25/h5-18,20H,3-4,19,21-23H2,1-2H3.
What are the key properties of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 439.60 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 10274945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).