N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine

C30H35N3O — CID 69326108

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C30H35N3O/c1-4-6-21-33-28(23-32(5-2)22-24-17-19-27(34-3)20-18-24)29(25-13-9-7-10-14-25)31-30(33)26-15-11-8-12-16-26/h7-20H,4-6,21-23H2,1-3H3
InChIKeyIEJYWGAINHOPIL-UHFFFAOYSA-N
MW453.63 g/mol
LogP7.05
Rot. Bonds11

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 69326108) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID69326108
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C30H35N3O/c1-4-6-21-33-28(23-32(5-2)22-24-17-19-27(34-3)20-18-24)29(25-13-9-7-10-14-25)31-30(33)26-15-11-8-12-16-26/h7-20H,4-6,21-23H2,1-3H3
InChIKeyIEJYWGAINHOPIL-UHFFFAOYSA-N
XLogP7.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 69325927
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 69325492
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 69326461
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 22493826
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-[[4-(methylsulfanylmethoxy)phenyl]methyl]butan-1-amine
CID 69325515
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
methyl 3-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]-5-methoxybenzoate
CID 91254611
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
CID 18438342
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69330877
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
CID 69326872

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine (CID 69326108) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is IEJYWGAINHOPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-4-6-21-33-28(23-32(5-2)22-24-17-19-27(34-3)20-18-24)29(25-13-9-7-10-14-25)31-30(33)26-15-11-8-12-16-26/h7-20H,4-6,21-23H2,1-3H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 453.63 g/mol, XLogP of 7.05, 11 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-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 69326108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).