2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid

C14H13F3N2O2 — CID 106217017

IUPAC2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H13F3N2O2/c1-2-11-18-9-7-8(12(20)21)3-4-10(9)19(11)13(5-6-13)14(15,16)17/h3-4,7H,2,5-6H2,1H3,(H,20,21)
InChIKeyUYFBEIWAFMETNQ-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.35
Rot. Bonds3

About 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid

2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid (PubChem CID 106217017) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid
PubChem CID106217017
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H13F3N2O2/c1-2-11-18-9-7-8(12(20)21)3-4-10(9)19(11)13(5-6-13)14(15,16)17/h3-4,7H,2,5-6H2,1H3,(H,20,21)
InChIKeyUYFBEIWAFMETNQ-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 64688633
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 114101513
2-ethyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 80723956
1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 43140431
2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43140417
2-ethyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 63295630
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
2-ethyl-1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62117854
2-(2-chloroethyl)-5-iodo-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216879
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
CID 61460804
2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 82774230

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid (CID 106217017) is 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1C1(C(F)(F)F)CC1.
What is the InChIKey of 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid?
The InChIKey is UYFBEIWAFMETNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-11-18-9-7-8(12(20)21)3-4-10(9)19(11)13(5-6-13)14(15,16)17/h3-4,7H,2,5-6H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid?
2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106217017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).