3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine

C16H16FN3S — CID 63614015

IUPAC3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(F)cc3n2C2CC2)c(N)s1
InChIInChI=1S/C16H16FN3S/c1-2-11-8-12(15(18)21-11)16-19-13-6-3-9(17)7-14(13)20(16)10-4-5-10/h3,6-8,10H,2,4-5,18H2,1H3
InChIKeyLIRVFXRZCWRWPI-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.38
Rot. Bonds3

About 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine

3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine (PubChem CID 63614015) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
PubChem CID63614015
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3ccc(F)cc3n2C2CC2)c(N)s1
InChIInChI=1S/C16H16FN3S/c1-2-11-8-12(15(18)21-11)16-19-13-6-3-9(17)7-14(13)20(16)10-4-5-10/h3,6-8,10H,2,4-5,18H2,1H3
InChIKeyLIRVFXRZCWRWPI-UHFFFAOYSA-N
XLogP4.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The IUPAC name of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine (CID 63614015) is 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The canonical SMILES for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine is CCc1cc(-c2nc3ccc(F)cc3n2C2CC2)c(N)s1.
What is the InChIKey of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine?
The InChIKey is LIRVFXRZCWRWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-2-11-8-12(15(18)21-11)16-19-13-6-3-9(17)7-14(13)20(16)10-4-5-10/h3,6-8,10H,2,4-5,18H2,1H3.
What are the key properties of 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine?
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine has a molecular weight of 301.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine is sourced from PubChem (CID 63614015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).