2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid

C16H13FN2O2 — CID 107119584

IUPAC2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCc1nc2ccccc2n1Cc1cccc(C(=O)O)c1F
InChIInChI=1S/C16H13FN2O2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(15(11)17)16(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyRZDHRXIQGZROJQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.23
Rot. Bonds3

About 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid

2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 107119584) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
PubChem CID107119584
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCc1nc2ccccc2n1Cc1cccc(C(=O)O)c1F
InChIInChI=1S/C16H13FN2O2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(15(11)17)16(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyRZDHRXIQGZROJQ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
CID 112654456
3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43244444
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-(2-methylbenzimidazol-1-yl)acetic acid
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1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
2-fluoro-3-[(5-methylpyrazol-1-yl)methyl]benzoic acid
CID 107119619
2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 94747736
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
CID 62470224
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid (CID 107119584) is 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid is Cc1nc2ccccc2n1Cc1cccc(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is RZDHRXIQGZROJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(15(11)17)16(20)21/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid?
2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 284.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 107119584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).