4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid

C22H26N2O3 — CID 91036073

IUPAC4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid
SMILESCCc1nc2cc(C(C)CCC(=O)O)ccc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C22H26N2O3/c1-3-21-23-19-14-17(15(2)4-11-22(26)27)7-10-20(19)24(21)18-8-5-16(6-9-18)12-13-25/h5-10,14-15,25H,3-4,11-13H2,1-2H3,(H,26,27)
InChIKeyDXSYYZCYHMXLEX-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.09
Rot. Bonds8

About 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid

4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid (PubChem CID 91036073) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid.

Molecular Properties

Compound Name4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid
PubChem CID91036073
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid
SMILESCCc1nc2cc(C(C)CCC(=O)O)ccc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C22H26N2O3/c1-3-21-23-19-14-17(15(2)4-11-22(26)27)7-10-20(19)24(21)18-8-5-16(6-9-18)12-13-25/h5-10,14-15,25H,3-4,11-13H2,1-2H3,(H,26,27)
InChIKeyDXSYYZCYHMXLEX-UHFFFAOYSA-N
XLogP4.09
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid?
The IUPAC name of 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid (CID 91036073) is 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid.
What is the SMILES notation for 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid?
The canonical SMILES for 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid is CCc1nc2cc(C(C)CCC(=O)O)ccc2n1-c1ccc(CCO)cc1.
What is the InChIKey of 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid?
The InChIKey is DXSYYZCYHMXLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-21-23-19-14-17(15(2)4-11-22(26)27)7-10-20(19)24(21)18-8-5-16(6-9-18)12-13-25/h5-10,14-15,25H,3-4,11-13H2,1-2H3,(H,26,27).
What are the key properties of 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid?
4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid has a molecular weight of 366.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid is sourced from PubChem (CID 91036073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).