N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide

C17H17FN4O2 — CID 21101134

IUPACN-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide
SMILESNCCCNC(=O)c1ccc(-c2nc3c(O)cccc3[nH]2)c(F)c1
InChIInChI=1S/C17H17FN4O2/c18-12-9-10(17(24)20-8-2-7-19)5-6-11(12)16-21-13-3-1-4-14(23)15(13)22-16/h1,3-6,9,23H,2,7-8,19H2,(H,20,24)(H,21,22)
InChIKeyIEXFGNBPDMAYKU-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.15
Rot. Bonds5

About N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide

N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide (PubChem CID 21101134) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide
PubChem CID21101134
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide
SMILESNCCCNC(=O)c1ccc(-c2nc3c(O)cccc3[nH]2)c(F)c1
InChIInChI=1S/C17H17FN4O2/c18-12-9-10(17(24)20-8-2-7-19)5-6-11(12)16-21-13-3-1-4-14(23)15(13)22-16/h1,3-6,9,23H,2,7-8,19H2,(H,20,24)(H,21,22)
InChIKeyIEXFGNBPDMAYKU-UHFFFAOYSA-N
XLogP2.15
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide (CID 21101134) is N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide is NCCCNC(=O)c1ccc(-c2nc3c(O)cccc3[nH]2)c(F)c1.
What is the InChIKey of N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide?
The InChIKey is IEXFGNBPDMAYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-12-9-10(17(24)20-8-2-7-19)5-6-11(12)16-21-13-3-1-4-14(23)15(13)22-16/h1,3-6,9,23H,2,7-8,19H2,(H,20,24)(H,21,22).
What are the key properties of N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide?
N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide has a molecular weight of 328.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 21101134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).