5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine

C13H15ClFN3O — CID 66077538

IUPAC5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CC1CCOCC1
InChIInChI=1S/C13H15ClFN3O/c14-9-5-11-12(6-10(9)15)18(13(16)17-11)7-8-1-3-19-4-2-8/h5-6,8H,1-4,7H2,(H2,16,17)
InChIKeyITTFKLAUMGQADL-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.84
Rot. Bonds2

About 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine (PubChem CID 66077538) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
PubChem CID66077538
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CC1CCOCC1
InChIInChI=1S/C13H15ClFN3O/c14-9-5-11-12(6-10(9)15)18(13(16)17-11)7-8-1-3-19-4-2-8/h5-6,8H,1-4,7H2,(H2,16,17)
InChIKeyITTFKLAUMGQADL-UHFFFAOYSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 66087092
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazole
CID 66111998
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 63712640
5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 63597894
5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
CID 66077162
5-chloro-6-fluoro-1-[2-(3-methylcyclohexyl)ethyl]benzimidazol-2-amine
CID 66079290
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
2-(chloromethyl)-6-fluoro-5-iodo-1-(oxan-4-ylmethyl)benzimidazole
CID 66093863
5-chloro-2-(2-chloroethyl)-1-(cyclopropylmethyl)-6-fluorobenzimidazole
CID 66077348
5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 66088828

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine (CID 66077538) is 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1CC1CCOCC1.
What is the InChIKey of 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is ITTFKLAUMGQADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c14-9-5-11-12(6-10(9)15)18(13(16)17-11)7-8-1-3-19-4-2-8/h5-6,8H,1-4,7H2,(H2,16,17).
What are the key properties of 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 283.73 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 66077538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).