(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine

C15H14FN3S — CID 115284651

IUPAC(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C15H14FN3S/c16-9-3-6-11-12(8-9)19(10-4-5-10)15(18-11)14(17)13-2-1-7-20-13/h1-3,6-8,10,14H,4-5,17H2
InChIKeyFUSKQAAGHRCTSO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.62
Rot. Bonds3

About (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine

(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine (PubChem CID 115284651) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine
PubChem CID115284651
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C15H14FN3S/c16-9-3-6-11-12(8-9)19(10-4-5-10)15(18-11)14(17)13-2-1-7-20-13/h1-3,6-8,10,14H,4-5,17H2
InChIKeyFUSKQAAGHRCTSO-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62388960
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
1-cyclopropyl-2-(diethoxymethyl)-6-fluorobenzimidazole
CID 63772330
1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole
CID 62388618
2-(1-chloroethyl)-1-cycloheptyl-6-fluorobenzimidazole
CID 63545031
2-(1-chloroethyl)-6-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 62377544
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
CID 62375834
2-(1-chloroethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377905
2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380200

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine (CID 115284651) is (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine is NC(c1cccs1)c1nc2ccc(F)cc2n1C1CC1.
What is the InChIKey of (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is FUSKQAAGHRCTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c16-9-3-6-11-12(8-9)19(10-4-5-10)15(18-11)14(17)13-2-1-7-20-13/h1-3,6-8,10,14H,4-5,17H2.
What are the key properties of (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine?
(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 115284651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).