N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C22H15F2N5S — CID 90467822

IUPACN-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFC(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1
InChIInChI=1S/C22H15F2N5S/c23-20(24)13-3-1-4-14(9-13)21-27-17-7-6-16(10-18(17)28-21)26-22-29-19(12-30-22)15-5-2-8-25-11-15/h1-12,20H,(H,26,29)(H,27,28)
InChIKeyDAADDTPRNYNMDN-UHFFFAOYSA-N
MW419.46 g/mol
LogP6.43
Rot. Bonds5

About N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90467822) has the molecular formula C22H15F2N5S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90467822
Molecular FormulaC22H15F2N5S
Molecular Weight419.46 g/mol
Exact Mass419.10
IUPAC NameN-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFC(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1
InChIInChI=1S/C22H15F2N5S/c23-20(24)13-3-1-4-14(9-13)21-27-17-7-6-16(10-18(17)28-21)26-22-29-19(12-30-22)15-5-2-8-25-11-15/h1-12,20H,(H,26,29)(H,27,28)
InChIKeyDAADDTPRNYNMDN-UHFFFAOYSA-N
XLogP6.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.46
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90467822) is N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is FC(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1.
What is the InChIKey of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is DAADDTPRNYNMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5S/c23-20(24)13-3-1-4-14(9-13)21-27-17-7-6-16(10-18(17)28-21)26-22-29-19(12-30-22)15-5-2-8-25-11-15/h1-12,20H,(H,26,29)(H,27,28).
What are the key properties of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 419.46 g/mol, XLogP of 6.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90467822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).