2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid

C18H15FN2O2 — CID 18681002

IUPAC2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CC3)n(Cc3ccccc3F)c2c1
InChIInChI=1S/C18H15FN2O2/c19-14-4-2-1-3-13(14)10-21-16-9-12(18(22)23)7-8-15(16)20-17(21)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
InChIKeyBVVYOONIRPAYHU-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.80
Rot. Bonds4

About 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid

2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 18681002) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID18681002
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(C3CC3)n(Cc3ccccc3F)c2c1
InChIInChI=1S/C18H15FN2O2/c19-14-4-2-1-3-13(14)10-21-16-9-12(18(22)23)7-8-15(16)20-17(21)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
InChIKeyBVVYOONIRPAYHU-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
CID 82773778
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
2-cyclopropyl-3-(2-methylsulfanylethyl)benzimidazole-5-carboxylic acid
CID 82790482
2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
CID 82790323
2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
CID 82773918
2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 94747736
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612310
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
2-cyclopropyl-1-(2,2-dimethylbutyl)benzimidazole-5-carboxylic acid
CID 103463466

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid (CID 18681002) is 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(C3CC3)n(Cc3ccccc3F)c2c1.
What is the InChIKey of 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is BVVYOONIRPAYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-14-4-2-1-3-13(14)10-21-16-9-12(18(22)23)7-8-15(16)20-17(21)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23).
What are the key properties of 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid?
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 18681002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).