5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine

C26H26ClN3O2 — CID 4691572

IUPAC5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
SMILESCOCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H26ClN3O2/c1-31-15-14-30-25(22-10-12-23(27)13-11-22)18-29-26(30)28-17-21-8-5-9-24(16-21)32-19-20-6-3-2-4-7-20/h2-13,16,18H,14-15,17,19H2,1H3,(H,28,29)
InChIKeyLCFKXKMNWHPGLI-UHFFFAOYSA-N
MW447.97 g/mol
LogP6.04
Rot. Bonds10

About 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine

5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine (PubChem CID 4691572) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
PubChem CID4691572
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
SMILESCOCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H26ClN3O2/c1-31-15-14-30-25(22-10-12-23(27)13-11-22)18-29-26(30)28-17-21-8-5-9-24(16-21)32-19-20-6-3-2-4-7-20/h2-13,16,18H,14-15,17,19H2,1H3,(H,28,29)
InChIKeyLCFKXKMNWHPGLI-UHFFFAOYSA-N
XLogP6.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
CID 4539990
N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 5042199
5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine
CID 3884020
4-chloro-2-[[[1-(2-methoxyethyl)-5-phenylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327011
3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 5151576
N-[(2,3-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 4034868
4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3284600
1-butyl-N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)imidazol-2-amine;oxalic acid
CID 146051200
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 4727264
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3657177
5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine
CID 4298645

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine (CID 4691572) is 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine is COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine?
The InChIKey is LCFKXKMNWHPGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-31-15-14-30-25(22-10-12-23(27)13-11-22)18-29-26(30)28-17-21-8-5-9-24(16-21)32-19-20-6-3-2-4-7-20/h2-13,16,18H,14-15,17,19H2,1H3,(H,28,29).
What are the key properties of 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine?
5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine has a molecular weight of 447.97 g/mol, XLogP of 6.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 4691572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).