N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine

C31H37N3 — CID 69325911

IUPACN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
SMILESCCCCn1c(CN(CCc2ccccc2)Cc2ccc(C)c(C)c2)cnc1-c1ccccc1
InChIInChI=1S/C31H37N3/c1-4-5-19-34-30(22-32-31(34)29-14-10-7-11-15-29)24-33(20-18-27-12-8-6-9-13-27)23-28-17-16-25(2)26(3)21-28/h6-17,21-22H,4-5,18-20,23-24H2,1-3H3
InChIKeyRPXLPIQHGVWMMT-UHFFFAOYSA-N
MW451.66 g/mol
LogP7.21
Rot. Bonds11

About N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine (PubChem CID 69325911) has the molecular formula C31H37N3 and a molecular weight of 451.66 g/mol. Its IUPAC name is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
PubChem CID69325911
Molecular FormulaC31H37N3
Molecular Weight451.66 g/mol
Exact Mass451.30
IUPAC NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
SMILESCCCCn1c(CN(CCc2ccccc2)Cc2ccc(C)c(C)c2)cnc1-c1ccccc1
InChIInChI=1S/C31H37N3/c1-4-5-19-34-30(22-32-31(34)29-14-10-7-11-15-29)24-33(20-18-27-12-8-6-9-13-27)23-28-17-16-25(2)26(3)21-28/h6-17,21-22H,4-5,18-20,23-24H2,1-3H3
InChIKeyRPXLPIQHGVWMMT-UHFFFAOYSA-N
XLogP7.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.66
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
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
N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 69327062
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
5-[[butyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-2-hydroxybenzoic acid
CID 69325498
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]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine
CID 69325821
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]methyl]-2-(4-iodophenyl)ethanamine
CID 90787084
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]methyl]-2-naphthalen-2-ylethanamine
CID 69326417
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 20721205

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine (CID 69325911) is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine is CCCCn1c(CN(CCc2ccccc2)Cc2ccc(C)c(C)c2)cnc1-c1ccccc1.
What is the InChIKey of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine?
The InChIKey is RPXLPIQHGVWMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3/c1-4-5-19-34-30(22-32-31(34)29-14-10-7-11-15-29)24-33(20-18-27-12-8-6-9-13-27)23-28-17-16-25(2)26(3)21-28/h6-17,21-22H,4-5,18-20,23-24H2,1-3H3.
What are the key properties of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine?
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine has a molecular weight of 451.66 g/mol, XLogP of 7.21, 11 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]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 69325911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).