N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine

C15H20FN3 — CID 103295052

IUPACN-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCC1(C)CCCC(Nc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C15H20FN3/c1-15(2)7-3-4-11(9-15)17-14-18-12-6-5-10(16)8-13(12)19-14/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,17,18,19)
InChIKeyXUYVBGJXEYBBSE-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.08
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine

N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 103295052) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine
PubChem CID103295052
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCC1(C)CCCC(Nc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C15H20FN3/c1-15(2)7-3-4-11(9-15)17-14-18-12-6-5-10(16)8-13(12)19-14/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,17,18,19)
InChIKeyXUYVBGJXEYBBSE-UHFFFAOYSA-N
XLogP4.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
CID 103295199
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
CID 103295064
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295344
N-(3,3-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79768980
N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 80706215
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
N-(2,2-dimethyloxan-4-yl)-6-nitro-1H-benzimidazol-2-amine
CID 83037077
1-cyclohexyl-N-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295345
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 103295044
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine (CID 103295052) is N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine is CC1(C)CCCC(Nc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is XUYVBGJXEYBBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-15(2)7-3-4-11(9-15)17-14-18-12-6-5-10(16)8-13(12)19-14/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,17,18,19).
What are the key properties of N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine?
N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).