2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole

C16H15FN2O — CID 143712602

IUPAC2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
SMILESCCc1ccc(OCc2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-2-11-7-8-15(12(17)9-11)20-10-16-18-13-5-3-4-6-14(13)19-16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyUYFXALCSHCPVRK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.84
Rot. Bonds4

About 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole

2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole (PubChem CID 143712602) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
PubChem CID143712602
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
SMILESCCc1ccc(OCc2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-2-11-7-8-15(12(17)9-11)20-10-16-18-13-5-3-4-6-14(13)19-16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyUYFXALCSHCPVRK-UHFFFAOYSA-N
XLogP3.84
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole
CID 168553883
4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 143384104
2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 82144371
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 66526965
N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 66526653
N-(1H-benzimidazol-2-ylmethyl)-1-(3-chloro-4-phenylmethoxyphenyl)methanamine
CID 66526609
N-(1H-benzimidazol-2-ylmethyl)-1-[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66537187
8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
CID 139086197
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-ethyl-1H-benzimidazole
CID 50754084
2-(pentoxymethyl)-1H-benzimidazole
CID 139950764

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole (CID 143712602) is 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole is CCc1ccc(OCc2nc3ccccc3[nH]2)c(F)c1.
What is the InChIKey of 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole?
The InChIKey is UYFXALCSHCPVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-11-7-8-15(12(17)9-11)20-10-16-18-13-5-3-4-6-14(13)19-16/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole?
2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole has a molecular weight of 270.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 143712602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).