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

C32H37Cl2N3O — CID 18438310

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C32H37Cl2N3O/c1-4-6-18-36(22-24-20-27(33)31(38-3)28(34)21-24)23-29-30(25-14-10-8-11-15-25)35-32(37(29)19-7-5-2)26-16-12-9-13-17-26/h8-17,20-21H,4-7,18-19,22-23H2,1-3H3
InChIKeyUQFLKXIWOMTTPI-UHFFFAOYSA-N
MW550.57 g/mol
LogP9.13
Rot. Bonds13

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

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine (PubChem CID 18438310) has the molecular formula C32H37Cl2N3O and a molecular weight of 550.57 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine
PubChem CID18438310
Molecular FormulaC32H37Cl2N3O
Molecular Weight550.57 g/mol
Exact Mass549.23
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C32H37Cl2N3O/c1-4-6-18-36(22-24-20-27(33)31(38-3)28(34)21-24)23-29-30(25-14-10-8-11-15-25)35-32(37(29)19-7-5-2)26-16-12-9-13-17-26/h8-17,20-21H,4-7,18-19,22-23H2,1-3H3
InChIKeyUQFLKXIWOMTTPI-UHFFFAOYSA-N
XLogP9.13
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.57
LogP ≤ 59.13
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-chlorophenyl)methyl]butan-1-amine
CID 69325801
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-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69325596
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-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
CID 69326872
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
CID 69327348
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 58818035
N-[(2,6-dichlorophenyl)methyl]-N-[(3-pentyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69326705
N-[[3-butyl-5-(4-chlorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69326957
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-methoxyphenyl)methyl]ethanamine
CID 69326108
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]butan-1-amine
CID 69325538

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine (CID 18438310) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine is CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is UQFLKXIWOMTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37Cl2N3O/c1-4-6-18-36(22-24-20-27(33)31(38-3)28(34)21-24)23-29-30(25-14-10-8-11-15-25)35-32(37(29)19-7-5-2)26-16-12-9-13-17-26/h8-17,20-21H,4-7,18-19,22-23H2,1-3H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 550.57 g/mol, XLogP of 9.13, 13 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-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 18438310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).