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

C18H16N2O2 — CID 82144581

IUPAC3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1cccc(Cn2c(C3CC3)nc3ccccc32)c1
InChIInChI=1S/C18H16N2O2/c21-18(22)14-5-3-4-12(10-14)11-20-16-7-2-1-6-15(16)19-17(20)13-8-9-13/h1-7,10,13H,8-9,11H2,(H,21,22)
InChIKeyNRNVDYQYIOOCIQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.66
Rot. Bonds4

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

3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 82144581) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
PubChem CID82144581
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1cccc(Cn2c(C3CC3)nc3ccccc32)c1
InChIInChI=1S/C18H16N2O2/c21-18(22)14-5-3-4-12(10-14)11-20-16-7-2-1-6-15(16)19-17(20)13-8-9-13/h1-7,10,13H,8-9,11H2,(H,21,22)
InChIKeyNRNVDYQYIOOCIQ-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid (CID 82144581) is 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid is O=C(O)c1cccc(Cn2c(C3CC3)nc3ccccc32)c1.
What is the InChIKey of 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is NRNVDYQYIOOCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(22)14-5-3-4-12(10-14)11-20-16-7-2-1-6-15(16)19-17(20)13-8-9-13/h1-7,10,13H,8-9,11H2,(H,21,22).
What are the key properties of 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid?
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 82144581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).