1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine

C14H17F2N3O — CID 83028894

IUPAC1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine
SMILESCC1(C)CC(n2c(N)nc3c(F)cc(F)cc32)CCO1
InChIInChI=1S/C14H17F2N3O/c1-14(2)7-9(3-4-20-14)19-11-6-8(15)5-10(16)12(11)18-13(19)17/h5-6,9H,3-4,7H2,1-2H3,(H2,17,18)
InChIKeyYBXAJZRHGZCHLE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine

1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 83028894) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine
PubChem CID83028894
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine
SMILESCC1(C)CC(n2c(N)nc3c(F)cc(F)cc32)CCO1
InChIInChI=1S/C14H17F2N3O/c1-14(2)7-9(3-4-20-14)19-11-6-8(15)5-10(16)12(11)18-13(19)17/h5-6,9H,3-4,7H2,1-2H3,(H2,17,18)
InChIKeyYBXAJZRHGZCHLE-UHFFFAOYSA-N
XLogP3.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethyloxan-4-yl)-6-fluorobenzimidazol-2-amine
CID 83028668
1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
CID 115508550
4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82727870
4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine
CID 115508758
2-(1-chloroethyl)-4,6-difluoro-1-(oxolan-3-yl)benzimidazole
CID 115509654
3-(2,2-dimethyloxan-4-yl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592442
2-(2-chloroethyl)-4,6-difluoro-1-(oxan-4-yl)benzimidazole
CID 115509237
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
2-[1-(2,2-dimethylcyclopropyl)-4,6-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 115508529
1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
CID 114400808

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine (CID 83028894) is 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine is CC1(C)CC(n2c(N)nc3c(F)cc(F)cc32)CCO1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is YBXAJZRHGZCHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-14(2)7-9(3-4-20-14)19-11-6-8(15)5-10(16)12(11)18-13(19)17/h5-6,9H,3-4,7H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine?
1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 281.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 83028894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).