3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide

C19H21FN4O2 — CID 25067416

IUPAC3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide
SMILESNC(=O)C(Cc1cccc(F)c1)n1c(NCCCO)nc2ccccc21
InChIInChI=1S/C19H21FN4O2/c20-14-6-3-5-13(11-14)12-17(18(21)26)24-16-8-2-1-7-15(16)23-19(24)22-9-4-10-25/h1-3,5-8,11,17,25H,4,9-10,12H2,(H2,21,26)(H,22,23)
InChIKeySVGQPUXSPDSTPT-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.24
Rot. Bonds8

About 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide

3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide (PubChem CID 25067416) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide
PubChem CID25067416
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide
SMILESNC(=O)C(Cc1cccc(F)c1)n1c(NCCCO)nc2ccccc21
InChIInChI=1S/C19H21FN4O2/c20-14-6-3-5-13(11-14)12-17(18(21)26)24-16-8-2-1-7-15(16)23-19(24)22-9-4-10-25/h1-3,5-8,11,17,25H,4,9-10,12H2,(H2,21,26)(H,22,23)
InChIKeySVGQPUXSPDSTPT-UHFFFAOYSA-N
XLogP2.24
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
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 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide (CID 25067416) is 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide is NC(=O)C(Cc1cccc(F)c1)n1c(NCCCO)nc2ccccc21.
What is the InChIKey of 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide?
The InChIKey is SVGQPUXSPDSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-14-6-3-5-13(11-14)12-17(18(21)26)24-16-8-2-1-7-15(16)23-19(24)22-9-4-10-25/h1-3,5-8,11,17,25H,4,9-10,12H2,(H2,21,26)(H,22,23).
What are the key properties of 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide?
3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide has a molecular weight of 356.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 25067416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).