2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid

C16H13ClN2O3 — CID 2764984

IUPAC2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid
SMILESCC(On1c(-c2ccccc2)nc2ccc(Cl)cc21)C(=O)O
InChIInChI=1S/C16H13ClN2O3/c1-10(16(20)21)22-19-14-9-12(17)7-8-13(14)18-15(19)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21)
InChIKeyMKSDCECPVWEHCA-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.26
Rot. Bonds4

About 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid

2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid (PubChem CID 2764984) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid
PubChem CID2764984
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid
SMILESCC(On1c(-c2ccccc2)nc2ccc(Cl)cc21)C(=O)O
InChIInChI=1S/C16H13ClN2O3/c1-10(16(20)21)22-19-14-9-12(17)7-8-13(14)18-15(19)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21)
InChIKeyMKSDCECPVWEHCA-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid?
The IUPAC name of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid (CID 2764984) is 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid.
What is the SMILES notation for 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid?
The canonical SMILES for 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid is CC(On1c(-c2ccccc2)nc2ccc(Cl)cc21)C(=O)O.
What is the InChIKey of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid?
The InChIKey is MKSDCECPVWEHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-10(16(20)21)22-19-14-9-12(17)7-8-13(14)18-15(19)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21).
What are the key properties of 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid?
2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid has a molecular weight of 316.74 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-phenylbenzimidazol-1-yl)oxypropanoic acid is sourced from PubChem (CID 2764984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).