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

C38H43N3O — CID 58818035

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C)c1)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C38H43N3O/c1-6-7-21-41-35(36(33-17-10-8-11-18-33)39-38(41)34-19-12-9-13-20-34)27-40(25-31-16-14-15-28(2)22-31)26-32-23-29(3)37(42-5)30(4)24-32/h8-20,22-24H,6-7,21,25-27H2,1-5H3
InChIKeyFMZLFYQYSHXIHG-UHFFFAOYSA-N
MW557.78 g/mol
LogP9.15
Rot. Bonds12

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

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 58818035) has the molecular formula C38H43N3O and a molecular weight of 557.78 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID58818035
Molecular FormulaC38H43N3O
Molecular Weight557.78 g/mol
Exact Mass557.34
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C)c1)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C38H43N3O/c1-6-7-21-41-35(36(33-17-10-8-11-18-33)39-38(41)34-19-12-9-13-20-34)27-40(25-31-16-14-15-28(2)22-31)26-32-23-29(3)37(42-5)30(4)24-32/h8-20,22-24H,6-7,21,25-27H2,1-5H3
InChIKeyFMZLFYQYSHXIHG-UHFFFAOYSA-N
XLogP9.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.78
LogP ≤ 59.15
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-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine (CID 58818035) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C)c1)Cc1cc(C)c(OC)c(C)c1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is FMZLFYQYSHXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N3O/c1-6-7-21-41-35(36(33-17-10-8-11-18-33)39-38(41)34-19-12-9-13-20-34)27-40(25-31-16-14-15-28(2)22-31)26-32-23-29(3)37(42-5)30(4)24-32/h8-20,22-24H,6-7,21,25-27H2,1-5H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 557.78 g/mol, XLogP of 9.15, 12 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-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 58818035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).