3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine

C16H22FN3 — CID 65261178

IUPAC3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C16H22FN3/c1-15(2,16(3,4)18)14-19-13-11(17)6-5-7-12(13)20(14)10-8-9-10/h5-7,10H,8-9,18H2,1-4H3
InChIKeySLHRPSRFLSAYEZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.53
Rot. Bonds3

About 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine

3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine (PubChem CID 65261178) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
PubChem CID65261178
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C16H22FN3/c1-15(2,16(3,4)18)14-19-13-11(17)6-5-7-12(13)20(14)10-8-9-10/h5-7,10H,8-9,18H2,1-4H3
InChIKeySLHRPSRFLSAYEZ-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
The IUPAC name of 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine (CID 65261178) is 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine is CC(C)(N)C(C)(C)c1nc2c(F)cccc2n1C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
The InChIKey is SLHRPSRFLSAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-15(2,16(3,4)18)14-19-13-11(17)6-5-7-12(13)20(14)10-8-9-10/h5-7,10H,8-9,18H2,1-4H3.
What are the key properties of 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine?
3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 65261178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).