N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine

C33H41N3O — CID 18438342

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(OC)c(C)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C33H41N3O/c1-5-7-21-35(24-27-19-20-31(37-4)26(3)23-27)25-30-32(28-15-11-9-12-16-28)34-33(36(30)22-8-6-2)29-17-13-10-14-18-29/h9-20,23H,5-8,21-22,24-25H2,1-4H3
InChIKeyTXTKDFFXLQNMEJ-UHFFFAOYSA-N
MW495.71 g/mol
LogP8.14
Rot. Bonds13

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine (PubChem CID 18438342) has the molecular formula C33H41N3O and a molecular weight of 495.71 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
PubChem CID18438342
Molecular FormulaC33H41N3O
Molecular Weight495.71 g/mol
Exact Mass495.32
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(OC)c(C)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C33H41N3O/c1-5-7-21-35(24-27-19-20-31(37-4)26(3)23-27)25-30-32(28-15-11-9-12-16-28)34-33(36(30)22-8-6-2)29-17-13-10-14-18-29/h9-20,23H,5-8,21-22,24-25H2,1-4H3
InChIKeyTXTKDFFXLQNMEJ-UHFFFAOYSA-N
XLogP8.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
CID 69326872
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
CID 69327348
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine
CID 18438310
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69330877
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-chlorophenyl)methyl]butan-1-amine
CID 69325801
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(3-methoxyphenyl)-5-phenylimidazol-4-yl]methyl]butan-1-amine
CID 69326652
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]butan-1-amine
CID 69326948
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 58818035
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-[(3-pentyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69327466
4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-2-ethoxyphenol
CID 69325546

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine (CID 18438342) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine is CCCCN(Cc1ccc(OC)c(C)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine?
The InChIKey is TXTKDFFXLQNMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O/c1-5-7-21-35(24-27-19-20-31(37-4)26(3)23-27)25-30-32(28-15-11-9-12-16-28)34-33(36(30)22-8-6-2)29-17-13-10-14-18-29/h9-20,23H,5-8,21-22,24-25H2,1-4H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine has a molecular weight of 495.71 g/mol, XLogP of 8.14, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 18438342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).