[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol

C28H31N3O2 — CID 143632867

IUPAC[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol
SMILESCN(CCCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)n1C
InChIInChI=1S/C28H31N3O2/c1-30(19-12-20-33-26-17-10-5-11-18-26)22-25-21-29-27(31(25)2)28(32,23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-11,13-18,21,32H,12,19-20,22H2,1-2H3
InChIKeyHCQJGSSDNLSAIE-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.61
Rot. Bonds10

About [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol

[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol (PubChem CID 143632867) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol
PubChem CID143632867
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol
SMILESCN(CCCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)n1C
InChIInChI=1S/C28H31N3O2/c1-30(19-12-20-33-26-17-10-5-11-18-26)22-25-21-29-27(31(25)2)28(32,23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-11,13-18,21,32H,12,19-20,22H2,1-2H3
InChIKeyHCQJGSSDNLSAIE-UHFFFAOYSA-N
XLogP4.61
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[[methyl(3-phenoxypropyl)amino]methyl]-1,2-oxazol-3-yl]-diphenylmethanol
CID 146712664
2-hydroxy-3-[methyl(3-phenoxypropyl)amino]-2-phenylpropanamide
CID 122154557
4-[3-[[2-[hydroxy(diphenyl)methyl]-1,3-oxazol-5-yl]methyl-methylamino]propoxy]benzaldehyde
CID 87720668
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
2-[methyl(3-phenoxypropyl)amino]ethanethioamide
CID 62936274
1-[methyl(3-phenoxypropyl)amino]butan-2-ol
CID 142108769
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol?
The IUPAC name of [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol (CID 143632867) is [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol?
The canonical SMILES for [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol is CN(CCCOc1ccccc1)Cc1cnc(C(O)(c2ccccc2)c2ccccc2)n1C.
What is the InChIKey of [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol?
The InChIKey is HCQJGSSDNLSAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-30(19-12-20-33-26-17-10-5-11-18-26)22-25-21-29-27(31(25)2)28(32,23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-11,13-18,21,32H,12,19-20,22H2,1-2H3.
What are the key properties of [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol?
[1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol has a molecular weight of 441.58 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[[methyl(3-phenoxypropyl)amino]methyl]imidazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 143632867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).