2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid

C15H17FN2O3 — CID 103436069

IUPAC2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESCCOC1CC(Cc2nc3c(C(=O)O)cc(F)cc3[nH]2)C1
InChIInChI=1S/C15H17FN2O3/c1-2-21-10-3-8(4-10)5-13-17-12-7-9(16)6-11(15(19)20)14(12)18-13/h6-8,10H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyGWWCDQYNYXDMKJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.76
Rot. Bonds5

About 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid

2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436069) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid
PubChem CID103436069
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESCCOC1CC(Cc2nc3c(C(=O)O)cc(F)cc3[nH]2)C1
InChIInChI=1S/C15H17FN2O3/c1-2-21-10-3-8(4-10)5-13-17-12-7-9(16)6-11(15(19)20)14(12)18-13/h6-8,10H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyGWWCDQYNYXDMKJ-UHFFFAOYSA-N
XLogP2.76
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-(oxan-2-ylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 103436201
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid
CID 103436025
6-bromo-2-(cyclobutylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 114263397
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436206
5-[(3-ethoxycyclobutyl)methyl]-2-methyl-1H-1,2,4-triazole-3-thione
CID 103164464
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436055
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid (CID 103436069) is 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid is CCOC1CC(Cc2nc3c(C(=O)O)cc(F)cc3[nH]2)C1.
What is the InChIKey of 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The InChIKey is GWWCDQYNYXDMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-21-10-3-8(4-10)5-13-17-12-7-9(16)6-11(15(19)20)14(12)18-13/h6-8,10H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid?
2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).