N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine

C36H39N3O2 — CID 69325492

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccccc1OC
InChIInChI=1S/C36H39N3O2/c1-4-5-24-39-33(35(29-14-8-6-9-15-29)37-36(39)30-16-10-7-11-17-30)27-38(25-28-20-22-32(40-2)23-21-28)26-31-18-12-13-19-34(31)41-3/h6-23H,4-5,24-27H2,1-3H3
InChIKeyFAPTUIBZQBXFCJ-UHFFFAOYSA-N
MW545.73 g/mol
LogP8.24
Rot. Bonds13

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 69325492) has the molecular formula C36H39N3O2 and a molecular weight of 545.73 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID69325492
Molecular FormulaC36H39N3O2
Molecular Weight545.73 g/mol
Exact Mass545.30
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccccc1OC
InChIInChI=1S/C36H39N3O2/c1-4-5-24-39-33(35(29-14-8-6-9-15-29)37-36(39)30-16-10-7-11-17-30)27-38(25-28-20-22-32(40-2)23-21-28)26-31-18-12-13-19-34(31)41-3/h6-23H,4-5,24-27H2,1-3H3
InChIKeyFAPTUIBZQBXFCJ-UHFFFAOYSA-N
XLogP8.24
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.73
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(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-[(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-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
CID 18438342
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]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
CID 69326872
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]-1-phenylmethanamine
CID 69325586
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 69325492) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccccc1OC.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is FAPTUIBZQBXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3O2/c1-4-5-24-39-33(35(29-14-8-6-9-15-29)37-36(39)30-16-10-7-11-17-30)27-38(25-28-20-22-32(40-2)23-21-28)26-31-18-12-13-19-34(31)41-3/h6-23H,4-5,24-27H2,1-3H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 545.73 g/mol, XLogP of 8.24, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 69325492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).