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

C30H35N3O — CID 69325927

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC)Cc1cccc(OC)c1
InChIInChI=1S/C30H35N3O/c1-4-6-20-33-28(23-32(5-2)22-24-14-13-19-27(21-24)34-3)29(25-15-9-7-10-16-25)31-30(33)26-17-11-8-12-18-26/h7-19,21H,4-6,20,22-23H2,1-3H3
InChIKeyZUONMLVAYKWABN-UHFFFAOYSA-N
MW453.63 g/mol
LogP7.05
Rot. Bonds11

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

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 69325927) 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-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID69325927
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC)Cc1cccc(OC)c1
InChIInChI=1S/C30H35N3O/c1-4-6-20-33-28(23-32(5-2)22-24-14-13-19-27(21-24)34-3)29(25-15-9-7-10-16-25)31-30(33)26-17-11-8-12-18-26/h7-19,21H,4-6,20,22-23H2,1-3H3
InChIKeyZUONMLVAYKWABN-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine (CID 69325927) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CC)Cc1cccc(OC)c1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is ZUONMLVAYKWABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-4-6-20-33-28(23-32(5-2)22-24-14-13-19-27(21-24)34-3)29(25-15-9-7-10-16-25)31-30(33)26-17-11-8-12-18-26/h7-19,21H,4-6,20,22-23H2,1-3H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-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-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 69325927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).