2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide

C18H18FN3O2 — CID 156708117

IUPAC2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCCOc1nc2c(F)cccc2n1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H18FN3O2/c1-2-24-18-21-16-14(19)9-6-10-15(16)22(18)17(23)20-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyHNECGXYIYYGGDJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.37
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide

2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide (PubChem CID 156708117) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide
PubChem CID156708117
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCCOc1nc2c(F)cccc2n1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H18FN3O2/c1-2-24-18-21-16-14(19)9-6-10-15(16)22(18)17(23)20-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyHNECGXYIYYGGDJ-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide
CID 156708251
2-[2-(dimethylamino)ethoxy]-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708151
2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
CID 175826583
4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 167679804
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
[1-(butylcarbamoyl)-4-methylbenzimidazol-2-yl] formate
CID 123590959
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 60541307
4-[3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119184720
3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065547
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The IUPAC name of 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide (CID 156708117) is 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The canonical SMILES for 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide is CCOc1nc2c(F)cccc2n1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The InChIKey is HNECGXYIYYGGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-2-24-18-21-16-14(19)9-6-10-15(16)22(18)17(23)20-12-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,20,23).
What are the key properties of 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide?
2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 156708117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).