6-(1-phenylbenzimidazol-2-yl)hexanoic acid

C19H20N2O2 — CID 18979139

IUPAC6-(1-phenylbenzimidazol-2-yl)hexanoic acid
SMILESO=C(O)CCCCCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-19(23)14-6-2-5-13-18-20-16-11-7-8-12-17(16)21(18)15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14H2,(H,22,23)
InChIKeyQESGFEHCUQALFB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.21
Rot. Bonds7

About 6-(1-phenylbenzimidazol-2-yl)hexanoic acid

6-(1-phenylbenzimidazol-2-yl)hexanoic acid (PubChem CID 18979139) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-(1-phenylbenzimidazol-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(1-phenylbenzimidazol-2-yl)hexanoic acid
PubChem CID18979139
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name6-(1-phenylbenzimidazol-2-yl)hexanoic acid
SMILESO=C(O)CCCCCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-19(23)14-6-2-5-13-18-20-16-11-7-8-12-17(16)21(18)15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14H2,(H,22,23)
InChIKeyQESGFEHCUQALFB-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-tridecylbenzimidazole
CID 24821367
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
CID 43446748
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
CID 119206156
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-hydroxy-2-(1-phenylbenzimidazol-2-yl)acetamide
CID 3049623
N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 109388365
5-(4-phenyl-1,2,4-triazol-3-yl)pentanoic acid
CID 62711798
1-(1,4-diazepan-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 119414087
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylbenzimidazol-2-yl)hexanoic acid?
The IUPAC name of 6-(1-phenylbenzimidazol-2-yl)hexanoic acid (CID 18979139) is 6-(1-phenylbenzimidazol-2-yl)hexanoic acid.
What is the SMILES notation for 6-(1-phenylbenzimidazol-2-yl)hexanoic acid?
The canonical SMILES for 6-(1-phenylbenzimidazol-2-yl)hexanoic acid is O=C(O)CCCCCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 6-(1-phenylbenzimidazol-2-yl)hexanoic acid?
The InChIKey is QESGFEHCUQALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19(23)14-6-2-5-13-18-20-16-11-7-8-12-17(16)21(18)15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14H2,(H,22,23).
What are the key properties of 6-(1-phenylbenzimidazol-2-yl)hexanoic acid?
6-(1-phenylbenzimidazol-2-yl)hexanoic acid has a molecular weight of 308.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylbenzimidazol-2-yl)hexanoic acid is sourced from PubChem (CID 18979139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).