N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine

C42H43N3O2 — CID 69330877

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C42H43N3O2/c1-3-4-27-45-38(41(36-21-13-7-14-22-36)43-42(45)37-23-15-8-16-24-37)31-44(29-33-17-9-5-10-18-33)30-35-25-26-39(46-2)40(28-35)47-32-34-19-11-6-12-20-34/h5-26,28H,3-4,27,29-32H2,1-2H3
InChIKeyIUUPAYKCMQUFIA-UHFFFAOYSA-N
MW621.82 g/mol
LogP9.81
Rot. Bonds15

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 69330877) has the molecular formula C42H43N3O2 and a molecular weight of 621.82 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID69330877
Molecular FormulaC42H43N3O2
Molecular Weight621.82 g/mol
Exact Mass621.34
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C42H43N3O2/c1-3-4-27-45-38(41(36-21-13-7-14-22-36)43-42(45)37-23-15-8-16-24-37)31-44(29-33-17-9-5-10-18-33)30-35-25-26-39(46-2)40(28-35)47-32-34-19-11-6-12-20-34/h5-26,28H,3-4,27,29-32H2,1-2H3
InChIKeyIUUPAYKCMQUFIA-UHFFFAOYSA-N
XLogP9.81
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.82
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine (CID 69330877) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is IUUPAYKCMQUFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N3O2/c1-3-4-27-45-38(41(36-21-13-7-14-22-36)43-42(45)37-23-15-8-16-24-37)31-44(29-33-17-9-5-10-18-33)30-35-25-26-39(46-2)40(28-35)47-32-34-19-11-6-12-20-34/h5-26,28H,3-4,27,29-32H2,1-2H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 621.82 g/mol, XLogP of 9.81, 15 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]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 69330877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).