N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide

C14H18FN3OS — CID 91781034

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H18FN3OS/c1-20-8-6-14(19)16-7-2-3-13-17-11-5-4-10(15)9-12(11)18-13/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyOKZSXZMIWJKJLP-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.50
Rot. Bonds7

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide (PubChem CID 91781034) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
PubChem CID91781034
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H18FN3OS/c1-20-8-6-14(19)16-7-2-3-13-17-11-5-4-10(15)9-12(11)18-13/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyOKZSXZMIWJKJLP-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.50
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

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide
CID 51593462
(1R,2R,4R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972732
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90653183
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 118775456
(3S)-3-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97196027

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide (CID 91781034) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide?
The InChIKey is OKZSXZMIWJKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-20-8-6-14(19)16-7-2-3-13-17-11-5-4-10(15)9-12(11)18-13/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 91781034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).