7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid

C20H23FN4O2 — CID 118363668

IUPAC7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid
SMILESCn1c(N(CCCCCCC(=O)O)c2ccc(F)cn2)nc2ccccc21
InChIInChI=1S/C20H23FN4O2/c1-24-17-9-6-5-8-16(17)23-20(24)25(18-12-11-15(21)14-22-18)13-7-3-2-4-10-19(26)27/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,26,27)
InChIKeySYQXFFYJFQKEQP-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.28
Rot. Bonds9

About 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid

7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid (PubChem CID 118363668) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid
PubChem CID118363668
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid
SMILESCn1c(N(CCCCCCC(=O)O)c2ccc(F)cn2)nc2ccccc21
InChIInChI=1S/C20H23FN4O2/c1-24-17-9-6-5-8-16(17)23-20(24)25(18-12-11-15(21)14-22-18)13-7-3-2-4-10-19(26)27/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,26,27)
InChIKeySYQXFFYJFQKEQP-UHFFFAOYSA-N
XLogP4.28
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid?
The IUPAC name of 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid (CID 118363668) is 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid.
What is the SMILES notation for 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid?
The canonical SMILES for 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid is Cn1c(N(CCCCCCC(=O)O)c2ccc(F)cn2)nc2ccccc21.
What is the InChIKey of 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid?
The InChIKey is SYQXFFYJFQKEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-24-17-9-6-5-8-16(17)23-20(24)25(18-12-11-15(21)14-22-18)13-7-3-2-4-10-19(26)27/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,26,27).
What are the key properties of 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid?
7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid has a molecular weight of 370.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoic acid is sourced from PubChem (CID 118363668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).