3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

C16H16FN3S — CID 60785646

IUPAC3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3cc(F)ccc3n2C2CC2)c1C
InChIInChI=1S/C16H16FN3S/c1-8-9(2)21-15(18)14(8)16-19-12-7-10(17)3-6-13(12)20(16)11-4-5-11/h3,6-7,11H,4-5,18H2,1-2H3
InChIKeyWTDCWAXZOAGIEM-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.44
Rot. Bonds2

About 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 60785646) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
PubChem CID60785646
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3cc(F)ccc3n2C2CC2)c1C
InChIInChI=1S/C16H16FN3S/c1-8-9(2)21-15(18)14(8)16-19-12-7-10(17)3-6-13(12)20(16)11-4-5-11/h3,6-7,11H,4-5,18H2,1-2H3
InChIKeyWTDCWAXZOAGIEM-UHFFFAOYSA-N
XLogP4.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 43325877
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
CID 107812783
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397659
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799089
5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 62387448
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614015
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324618

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (CID 60785646) is 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2nc3cc(F)ccc3n2C2CC2)c1C.
What is the InChIKey of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is WTDCWAXZOAGIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-8-9(2)21-15(18)14(8)16-19-12-7-10(17)3-6-13(12)20(16)11-4-5-11/h3,6-7,11H,4-5,18H2,1-2H3.
What are the key properties of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 301.39 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 60785646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).