N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid

C19H29FN4O2 — CID 172913026

IUPACN,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
SMILESCCN(CC)CCN1CCC(c2nc3ccc(F)cc3[nH]2)CC1.O=CO
InChIInChI=1S/C18H27FN4.CH2O2/c1-3-22(4-2)11-12-23-9-7-14(8-10-23)18-20-16-6-5-15(19)13-17(16)21-18;2-1-3/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,21);1H,(H,2,3)
InChIKeyWMIKBYSXQHKVGA-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.92
Rot. Bonds6

About N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid

N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid (PubChem CID 172913026) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
PubChem CID172913026
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC NameN,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
SMILESCCN(CC)CCN1CCC(c2nc3ccc(F)cc3[nH]2)CC1.O=CO
InChIInChI=1S/C18H27FN4.CH2O2/c1-3-22(4-2)11-12-23-9-7-14(8-10-23)18-20-16-6-5-15(19)13-17(16)21-18;2-1-3/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,21);1H,(H,2,3)
InChIKeyWMIKBYSXQHKVGA-UHFFFAOYSA-N
XLogP2.92
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 91834299
6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75131930
formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 154909579
[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56905261
6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615105
1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 70726537
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 166618672
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
1-ethyl-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 126431490
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]ethanol
CID 121452087
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid?
The IUPAC name of N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid (CID 172913026) is N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid.
What is the SMILES notation for N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid?
The canonical SMILES for N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid is CCN(CC)CCN1CCC(c2nc3ccc(F)cc3[nH]2)CC1.O=CO.
What is the InChIKey of N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid?
The InChIKey is WMIKBYSXQHKVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4.CH2O2/c1-3-22(4-2)11-12-23-9-7-14(8-10-23)18-20-16-6-5-15(19)13-17(16)21-18;2-1-3/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,21);1H,(H,2,3).
What are the key properties of N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid?
N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid has a molecular weight of 364.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid is sourced from PubChem (CID 172913026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).