2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline

C17H17N3O — CID 162373639

IUPAC2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline
SMILESCNc1cccc(OCc2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C17H17N3O/c1-18-14-8-5-9-15(16(14)17-19-10-11-20-17)21-12-13-6-3-2-4-7-13/h2-11,18H,12H2,1H3,(H,19,20)
InChIKeyPJRSSEVKEUKTIS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.70
Rot. Bonds5

About 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline

2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline (PubChem CID 162373639) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline
PubChem CID162373639
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline
SMILESCNc1cccc(OCc2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C17H17N3O/c1-18-14-8-5-9-15(16(14)17-19-10-11-20-17)21-12-13-6-3-2-4-7-13/h2-11,18H,12H2,1H3,(H,19,20)
InChIKeyPJRSSEVKEUKTIS-UHFFFAOYSA-N
XLogP3.70
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
CID 146672083
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CID 70663307
3-chloro-N-methyl-2-phenylmethoxyaniline
CID 144838514
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
3-iodo-7-phenylmethoxy-2H-indazole
CID 46835458
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
ethane;2-phenyl-1H-imidazole
CID 142210082
2,3-bis(phenylmethoxy)-1H-pyrrole
CID 67393754
4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 130119797
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
(3-methyl-4-phenylmethoxy-2-pyridinyl)hydrazine
CID 70451114
N-(2,6-dimethylphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827756

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline (CID 162373639) is 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline is CNc1cccc(OCc2ccccc2)c1-c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline?
The InChIKey is PJRSSEVKEUKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-18-14-8-5-9-15(16(14)17-19-10-11-20-17)21-12-13-6-3-2-4-7-13/h2-11,18H,12H2,1H3,(H,19,20).
What are the key properties of 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline?
2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline has a molecular weight of 279.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline is sourced from PubChem (CID 162373639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).