N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide

C20H19FN4O — CID 71703907

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H19FN4O/c21-15-8-7-14-9-11-25(18(14)12-15)13-20(26)22-10-3-6-19-23-16-4-1-2-5-17(16)24-19/h1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,22,26)(H,23,24)
InChIKeyVDVHYABILVOTFG-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.41
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide (PubChem CID 71703907) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide
PubChem CID71703907
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H19FN4O/c21-15-8-7-14-9-11-25(18(14)12-15)13-20(26)22-10-3-6-19-23-16-4-1-2-5-17(16)24-19/h1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,22,26)(H,23,24)
InChIKeyVDVHYABILVOTFG-UHFFFAOYSA-N
XLogP3.41
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55909912
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445090
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide (CID 71703907) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide is O=C(Cn1ccc2ccc(F)cc21)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide?
The InChIKey is VDVHYABILVOTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-8-7-14-9-11-25(18(14)12-15)13-20(26)22-10-3-6-19-23-16-4-1-2-5-17(16)24-19/h1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,22,26)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide is sourced from PubChem (CID 71703907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).