N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine

C34H37N3O — CID 69326007

IUPACN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCCCCn1c(CN(Cc2ccc(OCC)cc2)Cc2cccc3ccccc23)cnc1-c1ccccc1
InChIInChI=1S/C34H37N3O/c1-3-5-22-37-31(23-35-34(37)29-13-7-6-8-14-29)26-36(24-27-18-20-32(21-19-27)38-4-2)25-30-16-11-15-28-12-9-10-17-33(28)30/h6-21,23H,3-5,22,24-26H2,1-2H3
InChIKeyFIMLOXZNDLOZNM-UHFFFAOYSA-N
MW503.69 g/mol
LogP8.10
Rot. Bonds12

About N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 69326007) has the molecular formula C34H37N3O and a molecular weight of 503.69 g/mol. Its IUPAC name is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID69326007
Molecular FormulaC34H37N3O
Molecular Weight503.69 g/mol
Exact Mass503.29
IUPAC NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCCCCn1c(CN(Cc2ccc(OCC)cc2)Cc2cccc3ccccc23)cnc1-c1ccccc1
InChIInChI=1S/C34H37N3O/c1-3-5-22-37-31(23-35-34(37)29-13-7-6-8-14-29)26-36(24-27-18-20-32(21-19-27)38-4-2)25-30-16-11-15-28-12-9-10-17-33(28)30/h6-21,23H,3-5,22,24-26H2,1-2H3
InChIKeyFIMLOXZNDLOZNM-UHFFFAOYSA-N
XLogP8.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945
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]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine
CID 69326080
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-[(4-ethoxyphenyl)methyl]-3-(methoxymethoxy)benzamide;ethane
CID 142815153
4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol
CID 69326229
N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-2-(2-ethoxyphenyl)ethanamine
CID 69325685
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-2-phenylethanamine
CID 69326113
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine (CID 69326007) is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine is CCCCn1c(CN(Cc2ccc(OCC)cc2)Cc2cccc3ccccc23)cnc1-c1ccccc1.
What is the InChIKey of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is FIMLOXZNDLOZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O/c1-3-5-22-37-31(23-35-34(37)29-13-7-6-8-14-29)26-36(24-27-18-20-32(21-19-27)38-4-2)25-30-16-11-15-28-12-9-10-17-33(28)30/h6-21,23H,3-5,22,24-26H2,1-2H3.
What are the key properties of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 503.69 g/mol, XLogP of 8.10, 12 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]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 69326007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).