6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine

C16H22FN3 — CID 103295064

IUPAC6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
SMILESCC(C)C1CCCCC1Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H22FN3/c1-10(2)12-5-3-4-6-13(12)18-16-19-14-8-7-11(17)9-15(14)20-16/h7-10,12-13H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyKJYDUFVAPVJXGW-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.33
Rot. Bonds3

About 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine

6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine (PubChem CID 103295064) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
PubChem CID103295064
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
SMILESCC(C)C1CCCCC1Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H22FN3/c1-10(2)12-5-3-4-6-13(12)18-16-19-14-8-7-11(17)9-15(14)20-16/h7-10,12-13H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyKJYDUFVAPVJXGW-UHFFFAOYSA-N
XLogP4.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295052
1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
CID 103295199
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
1-cyclohexyl-N-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295345
N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122691314
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295344
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 103295044
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine (CID 103295064) is 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine is CC(C)C1CCCCC1Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine?
The InChIKey is KJYDUFVAPVJXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-10(2)12-5-3-4-6-13(12)18-16-19-14-8-7-11(17)9-15(14)20-16/h7-10,12-13H,3-6H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine?
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine has a molecular weight of 275.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).