N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine

C32H30Cl3N3 — CID 69326080

IUPACN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine
SMILESCCCCn1c(CN(Cc2c(Cl)cc(Cl)cc2Cl)Cc2cccc3ccccc23)cnc1-c1ccccc1
InChIInChI=1S/C32H30Cl3N3/c1-2-3-16-38-27(19-36-32(38)24-11-5-4-6-12-24)21-37(22-29-30(34)17-26(33)18-31(29)35)20-25-14-9-13-23-10-7-8-15-28(23)25/h4-15,17-19H,2-3,16,20-22H2,1H3
InChIKeyPFSSACQDRPRKIS-UHFFFAOYSA-N
MW562.97 g/mol
LogP9.67
Rot. Bonds10

About N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine (PubChem CID 69326080) has the molecular formula C32H30Cl3N3 and a molecular weight of 562.97 g/mol. Its IUPAC name is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine
PubChem CID69326080
Molecular FormulaC32H30Cl3N3
Molecular Weight562.97 g/mol
Exact Mass561.15
IUPAC NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine
SMILESCCCCn1c(CN(Cc2c(Cl)cc(Cl)cc2Cl)Cc2cccc3ccccc23)cnc1-c1ccccc1
InChIInChI=1S/C32H30Cl3N3/c1-2-3-16-38-27(19-36-32(38)24-11-5-4-6-12-24)21-37(22-29-30(34)17-26(33)18-31(29)35)20-25-14-9-13-23-10-7-8-15-28(23)25/h4-15,17-19H,2-3,16,20-22H2,1H3
InChIKeyPFSSACQDRPRKIS-UHFFFAOYSA-N
XLogP9.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.97
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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]-1-(3-fluoro-4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69327340
N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-2-phenylethanamine
CID 69326113
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-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945
4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
CID 10181651
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 20721205
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-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 69327062
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69325596

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine?
The IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine (CID 69326080) is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine.
What is the SMILES notation for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine?
The canonical SMILES for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine is CCCCn1c(CN(Cc2c(Cl)cc(Cl)cc2Cl)Cc2cccc3ccccc23)cnc1-c1ccccc1.
What is the InChIKey of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine?
The InChIKey is PFSSACQDRPRKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl3N3/c1-2-3-16-38-27(19-36-32(38)24-11-5-4-6-12-24)21-37(22-29-30(34)17-26(33)18-31(29)35)20-25-14-9-13-23-10-7-8-15-28(23)25/h4-15,17-19H,2-3,16,20-22H2,1H3.
What are the key properties of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine?
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine has a molecular weight of 562.97 g/mol, XLogP of 9.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine is sourced from PubChem (CID 69326080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).