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

C14H18FN3O — CID 103295496

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine
SMILESNC1CCCCCC1Oc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H18FN3O/c15-9-6-7-11-12(8-9)18-14(17-11)19-13-5-3-1-2-4-10(13)16/h6-8,10,13H,1-5,16H2,(H,17,18)
InChIKeyFJFJCRYTRDQMLW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.74
Rot. Bonds2

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

2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine (PubChem CID 103295496) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine
PubChem CID103295496
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine
SMILESNC1CCCCCC1Oc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H18FN3O/c15-9-6-7-11-12(8-9)18-14(17-11)19-13-5-3-1-2-4-10(13)16/h6-8,10,13H,1-5,16H2,(H,17,18)
InChIKeyFJFJCRYTRDQMLW-UHFFFAOYSA-N
XLogP2.74
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64812865
2-(2,4-difluorophenoxy)cyclooctan-1-amine
CID 45253704
1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine
CID 103295487
1-cyclohexyl-N-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295345
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N'-cyclopentyl-N'-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295528
2-(1H-benzimidazol-2-yloxy)-N-methylcyclohexan-1-amine
CID 102634417
1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
CID 103295199
[1-(6-fluoro-1H-benzimidazol-2-yl)azepan-2-yl]methanol
CID 103295426
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
2-(6-fluoro-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60785476

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine (CID 103295496) is 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine is NC1CCCCCC1Oc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine?
The InChIKey is FJFJCRYTRDQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-9-6-7-11-12(8-9)18-14(17-11)19-13-5-3-1-2-4-10(13)16/h6-8,10,13H,1-5,16H2,(H,17,18).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine?
2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)oxy]cycloheptan-1-amine is sourced from PubChem (CID 103295496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).