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

C28H31N3 — CID 69301657

IUPACN-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)cnc1-c1ccccc1
InChIInChI=1S/C28H31N3/c1-2-3-19-31-27(20-29-28(31)26-17-11-6-12-18-26)23-30(21-24-13-7-4-8-14-24)22-25-15-9-5-10-16-25/h4-18,20H,2-3,19,21-23H2,1H3
InChIKeyZBWHTTMXBAHNBD-UHFFFAOYSA-N
MW409.58 g/mol
LogP6.55
Rot. Bonds10

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

N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine (PubChem CID 69301657) has the molecular formula C28H31N3 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
PubChem CID69301657
Molecular FormulaC28H31N3
Molecular Weight409.58 g/mol
Exact Mass409.25
IUPAC NameN-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)cnc1-c1ccccc1
InChIInChI=1S/C28H31N3/c1-2-3-19-31-27(20-29-28(31)26-17-11-6-12-18-26)23-30(21-24-13-7-4-8-14-24)22-25-15-9-5-10-16-25/h4-18,20H,2-3,19,21-23H2,1H3
InChIKeyZBWHTTMXBAHNBD-UHFFFAOYSA-N
XLogP6.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945
4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
CID 10181651
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
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]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69326007
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-2-phenylethanamine
CID 69326113
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenyl-N-[(2-phenyl-3-propylimidazol-4-yl)methyl]methanamine
CID 10161292
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 20721205
4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol
CID 69326229
5-[[butyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-2-hydroxybenzoic acid
CID 69325498
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]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine
CID 69326080

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine (CID 69301657) is N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine is CCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)cnc1-c1ccccc1.
What is the InChIKey of N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is ZBWHTTMXBAHNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3/c1-2-3-19-31-27(20-29-28(31)26-17-11-6-12-18-26)23-30(21-24-13-7-4-8-14-24)22-25-15-9-5-10-16-25/h4-18,20H,2-3,19,21-23H2,1H3.
What are the key properties of N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine?
N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 409.58 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 69301657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).