3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine

C16H22FN3 — CID 63044382

IUPAC3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCC(C)n1c(C2CCCC(N)C2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-10(2)20-15-9-12(17)6-7-14(15)19-16(20)11-4-3-5-13(18)8-11/h6-7,9-11,13H,3-5,8,18H2,1-2H3
InChIKeyFVWHHQWHNLCBJY-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.74
Rot. Bonds2

About 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine

3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 63044382) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID63044382
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCC(C)n1c(C2CCCC(N)C2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-10(2)20-15-9-12(17)6-7-14(15)19-16(20)11-4-3-5-13(18)8-11/h6-7,9-11,13H,3-5,8,18H2,1-2H3
InChIKeyFVWHHQWHNLCBJY-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 63044383
3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 66032382
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclobutan-1-amine
CID 81162051
2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
CID 84693728
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
[1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436256
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine
CID 81455528
2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
CID 82146329
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044205

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine (CID 63044382) is 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine is CC(C)n1c(C2CCCC(N)C2)nc2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is FVWHHQWHNLCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-10(2)20-15-9-12(17)6-7-14(15)19-16(20)11-4-3-5-13(18)8-11/h6-7,9-11,13H,3-5,8,18H2,1-2H3.
What are the key properties of 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63044382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).