2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid

C13H14Cl2N2O2 — CID 82145985

IUPAC2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2cc(Cl)c(Cl)cc2n1C(C)C(=O)O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-4-12-16-10-5-8(14)9(15)6-11(10)17(12)7(2)13(18)19/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyUMQWSXNZOHMLNZ-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.94
Rot. Bonds4

About 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid

2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid (PubChem CID 82145985) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
PubChem CID82145985
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2cc(Cl)c(Cl)cc2n1C(C)C(=O)O
InChIInChI=1S/C13H14Cl2N2O2/c1-3-4-12-16-10-5-8(14)9(15)6-11(10)17(12)7(2)13(18)19/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyUMQWSXNZOHMLNZ-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid (CID 82145985) is 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid is CCCc1nc2cc(Cl)c(Cl)cc2n1C(C)C(=O)O.
What is the InChIKey of 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid?
The InChIKey is UMQWSXNZOHMLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-3-4-12-16-10-5-8(14)9(15)6-11(10)17(12)7(2)13(18)19/h5-7H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid?
2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid has a molecular weight of 301.17 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82145985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).