5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole

C12H14N2O — CID 91318795

IUPAC5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
SMILESCOc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-15-12-6-3-10(4-7-12)2-5-11-8-13-9-14-11/h3-4,6-9H,2,5H2,1H3,(H,13,14)
InChIKeyWIPRFAQQCVRBGX-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.20
Rot. Bonds4

About 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole

5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole (PubChem CID 91318795) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
PubChem CID91318795
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
SMILESCOc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-15-12-6-3-10(4-7-12)2-5-11-8-13-9-14-11/h3-4,6-9H,2,5H2,1H3,(H,13,14)
InChIKeyWIPRFAQQCVRBGX-UHFFFAOYSA-N
XLogP2.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-imidazol-5-ylmethyl)-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 14185458
5-[2-(4-propylphenoxy)ethyl]-1H-imidazole
CID 10376572
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 65231458
5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
CID 10536116
2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide
CID 44539079
[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanethiol
CID 87662551
(2R,3S)-3-amino-3-(1H-imidazol-5-yl)-2-[3-(4-methoxyphenyl)propanoylamino]propanoic acid
CID 68941113
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 97268630
5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole
CID 10828898
5-[1-(4-fluorophenyl)-1-iodo-5-(4-methoxyphenyl)pentyl]-1H-imidazole
CID 70367362
methyl (2S)-2-[(2-bromoacetyl)-[(4-methoxyphenyl)methyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 53305748

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole (CID 91318795) is 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole is COc1ccc(CCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole?
The InChIKey is WIPRFAQQCVRBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-12-6-3-10(4-7-12)2-5-11-8-13-9-14-11/h3-4,6-9H,2,5H2,1H3,(H,13,14).
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole?
5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole has a molecular weight of 202.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 91318795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).