1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine

C15H20FN3O — CID 103295487

IUPAC1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine
SMILESNC1(COc2nc3ccc(F)cc3[nH]2)CCCCCC1
InChIInChI=1S/C15H20FN3O/c16-11-5-6-12-13(9-11)19-14(18-12)20-10-15(17)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyHHZYYCYVQUQBMX-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.13
Rot. Bonds3

About 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine

1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine (PubChem CID 103295487) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine
PubChem CID103295487
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine
SMILESNC1(COc2nc3ccc(F)cc3[nH]2)CCCCCC1
InChIInChI=1S/C15H20FN3O/c16-11-5-6-12-13(9-11)19-14(18-12)20-10-15(17)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyHHZYYCYVQUQBMX-UHFFFAOYSA-N
XLogP3.13
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine
CID 103295496
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine
CID 103295502
1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane
CID 103295284
3-(6-fluoro-1H-benzimidazol-2-yl)bicyclo[1.1.1]pentan-1-amine
CID 142474666
1-[(2,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64551910
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64573531
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
1-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]cycloheptan-1-amine
CID 64549179
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine (CID 103295487) is 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine is NC1(COc2nc3ccc(F)cc3[nH]2)CCCCCC1.
What is the InChIKey of 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine?
The InChIKey is HHZYYCYVQUQBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-11-5-6-12-13(9-11)19-14(18-12)20-10-15(17)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,17H2,(H,18,19).
What are the key properties of 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine?
1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 103295487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).