2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole

C18H17ClN2O — CID 110537978

IUPAC2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole
SMILESCCn1ccnc1-c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H17ClN2O/c1-2-21-11-10-20-18(21)15-8-9-17(16(19)12-15)22-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3
InChIKeyYQIVLGHRDPRWMZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.80
Rot. Bonds5

About 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole

2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole (PubChem CID 110537978) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole
PubChem CID110537978
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole
SMILESCCn1ccnc1-c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H17ClN2O/c1-2-21-11-10-20-18(21)15-8-9-17(16(19)12-15)22-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3
InChIKeyYQIVLGHRDPRWMZ-UHFFFAOYSA-N
XLogP4.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-4-(1-ethylimidazol-2-yl)-6-methoxyphenol
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1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole
CID 110535624
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide
CID 56754331
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole?
The IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole (CID 110537978) is 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole.
What is the SMILES notation for 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole?
The canonical SMILES for 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole is CCn1ccnc1-c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole?
The InChIKey is YQIVLGHRDPRWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-2-21-11-10-20-18(21)15-8-9-17(16(19)12-15)22-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3.
What are the key properties of 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole?
2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole has a molecular weight of 312.80 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole is sourced from PubChem (CID 110537978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).