[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine

C16H20FN3O — CID 115438879

IUPAC[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nc3ccc(F)cc3n2C2CC2)CCOCC1
InChIInChI=1S/C16H20FN3O/c17-11-1-4-13-14(9-11)20(12-2-3-12)15(19-13)16(10-18)5-7-21-8-6-16/h1,4,9,12H,2-3,5-8,10,18H2
InChIKeyPKELTZSTIKKTRF-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.52
Rot. Bonds3

About [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine

[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine (PubChem CID 115438879) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
PubChem CID115438879
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nc3ccc(F)cc3n2C2CC2)CCOCC1
InChIInChI=1S/C16H20FN3O/c17-11-1-4-13-14(9-11)20(12-2-3-12)15(19-13)16(10-18)5-7-21-8-6-16/h1,4,9,12H,2-3,5-8,10,18H2
InChIKeyPKELTZSTIKKTRF-UHFFFAOYSA-N
XLogP2.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole
CID 83058757
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
ethyl 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480052
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450560
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450574
4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
CID 115292281
[1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433468
[1-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433455
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63134818
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine (CID 115438879) is [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine is NCC1(c2nc3ccc(F)cc3n2C2CC2)CCOCC1.
What is the InChIKey of [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine?
The InChIKey is PKELTZSTIKKTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-11-1-4-13-14(9-11)20(12-2-3-12)15(19-13)16(10-18)5-7-21-8-6-16/h1,4,9,12H,2-3,5-8,10,18H2.
What are the key properties of [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine?
[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 115438879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).