2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid

C15H15FN2O2 — CID 115066197

IUPAC2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(Cc3ccccc3F)[nH]c2C1
InChIInChI=1S/C15H15FN2O2/c16-11-4-2-1-3-9(11)8-14-17-12-6-5-10(15(19)20)7-13(12)18-14/h1-4,10H,5-8H2,(H,17,18)(H,19,20)
InChIKeyXNTSMKCMVKENCD-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.33
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid

2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid (PubChem CID 115066197) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
PubChem CID115066197
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)C1CCc2nc(Cc3ccccc3F)[nH]c2C1
InChIInChI=1S/C15H15FN2O2/c16-11-4-2-1-3-9(11)8-14-17-12-6-5-10(15(19)20)7-13(12)18-14/h1-4,10H,5-8H2,(H,17,18)(H,19,20)
InChIKeyXNTSMKCMVKENCD-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066146
2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol
CID 115066191
3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81496498
(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
CID 82387272
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552034
2-methyl-N-(4-phenylbutan-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640388
2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482817
N-[(2-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640377
2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82302091
5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135313832
3-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]propanoic acid
CID 82480480
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid (CID 115066197) is 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid is O=C(O)C1CCc2nc(Cc3ccccc3F)[nH]c2C1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
The InChIKey is XNTSMKCMVKENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-4-2-1-3-9(11)8-14-17-12-6-5-10(15(19)20)7-13(12)18-14/h1-4,10H,5-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid has a molecular weight of 274.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 115066197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).