4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline

C29H34N4 — CID 10181651

IUPAC4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
SMILESCCCCn1c(CN(Cc2ccccc2)Cc2ccc(NC)cc2)cnc1-c1ccccc1
InChIInChI=1S/C29H34N4/c1-3-4-19-33-28(20-31-29(33)26-13-9-6-10-14-26)23-32(21-24-11-7-5-8-12-24)22-25-15-17-27(30-2)18-16-25/h5-18,20,30H,3-4,19,21-23H2,1-2H3
InChIKeyVHTRCQLHJDPYIE-UHFFFAOYSA-N
MW438.62 g/mol
LogP6.59
Rot. Bonds11

About 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline

4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline (PubChem CID 10181651) has the molecular formula C29H34N4 and a molecular weight of 438.62 g/mol. Its IUPAC name is 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
PubChem CID10181651
Molecular FormulaC29H34N4
Molecular Weight438.62 g/mol
Exact Mass438.28
IUPAC Name4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
SMILESCCCCn1c(CN(Cc2ccccc2)Cc2ccc(NC)cc2)cnc1-c1ccccc1
InChIInChI=1S/C29H34N4/c1-3-4-19-33-28(20-31-29(33)26-13-9-6-10-14-26)23-32(21-24-11-7-5-8-12-24)22-25-15-17-27(30-2)18-16-25/h5-18,20,30H,3-4,19,21-23H2,1-2H3
InChIKeyVHTRCQLHJDPYIE-UHFFFAOYSA-N
XLogP6.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945
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
4-[[[3-butyl-2-(3-fluorophenyl)imidazol-4-yl]methyl-(cyclohexylmethyl)amino]methyl]-N-methylaniline
CID 69326440
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69326007
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 20721205
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline?
The IUPAC name of 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline (CID 10181651) is 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline.
What is the SMILES notation for 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline?
The canonical SMILES for 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline is CCCCn1c(CN(Cc2ccccc2)Cc2ccc(NC)cc2)cnc1-c1ccccc1.
What is the InChIKey of 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline?
The InChIKey is VHTRCQLHJDPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4/c1-3-4-19-33-28(20-31-29(33)26-13-9-6-10-14-26)23-32(21-24-11-7-5-8-12-24)22-25-15-17-27(30-2)18-16-25/h5-18,20,30H,3-4,19,21-23H2,1-2H3.
What are the key properties of 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline?
4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline has a molecular weight of 438.62 g/mol, XLogP of 6.59, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline is sourced from PubChem (CID 10181651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).