1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine

C22H18FN5S — CID 24952851

IUPAC1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine
SMILESNc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1
InChIInChI=1S/C22H18FN5S/c23-16-6-3-14(4-7-16)19-20(27-9-10-29-22(27)26-19)15-5-8-17-18(11-15)28(21(24)25-17)12-13-1-2-13/h3-11,13H,1-2,12H2,(H2,24,25)
InChIKeyMZIOLOXGGOLJMJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.21
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine

1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine (PubChem CID 24952851) has the molecular formula C22H18FN5S and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine
PubChem CID24952851
Molecular FormulaC22H18FN5S
Molecular Weight403.49 g/mol
Exact Mass403.13
IUPAC Name1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine
SMILESNc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1
InChIInChI=1S/C22H18FN5S/c23-16-6-3-14(4-7-16)19-20(27-9-10-29-22(27)26-19)15-5-8-17-18(11-15)28(21(24)25-17)12-13-1-2-13/h3-11,13H,1-2,12H2,(H2,24,25)
InChIKeyMZIOLOXGGOLJMJ-UHFFFAOYSA-N
XLogP5.21
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine (CID 24952851) is 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine is Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine?
The InChIKey is MZIOLOXGGOLJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5S/c23-16-6-3-14(4-7-16)19-20(27-9-10-29-22(27)26-19)15-5-8-17-18(11-15)28(21(24)25-17)12-13-1-2-13/h3-11,13H,1-2,12H2,(H2,24,25).
What are the key properties of 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine?
1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine has a molecular weight of 403.49 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzimidazol-2-amine is sourced from PubChem (CID 24952851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).