N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C24H18F3N5S — CID 90466964

IUPACN-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3ccc(C)c(C(F)(F)F)c3)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C24H18F3N5S/c1-13-5-6-15(9-17(13)24(25,26)27)22-29-19-8-14(2)18(10-20(19)30-22)31-23-32-21(12-33-23)16-4-3-7-28-11-16/h3-12H,1-2H3,(H,29,30)(H,31,32)
InChIKeyQXZRVVCOGNZJSK-UHFFFAOYSA-N
MW465.50 g/mol
LogP7.13
Rot. Bonds4

About N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90466964) has the molecular formula C24H18F3N5S and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90466964
Molecular FormulaC24H18F3N5S
Molecular Weight465.50 g/mol
Exact Mass465.12
IUPAC NameN-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3ccc(C)c(C(F)(F)F)c3)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C24H18F3N5S/c1-13-5-6-15(9-17(13)24(25,26)27)22-29-19-8-14(2)18(10-20(19)30-22)31-23-32-21(12-33-23)16-4-3-7-28-11-16/h3-12H,1-2H3,(H,29,30)(H,31,32)
InChIKeyQXZRVVCOGNZJSK-UHFFFAOYSA-N
XLogP7.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90466964) is N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1cc2[nH]c(-c3ccc(C)c(C(F)(F)F)c3)nc2cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is QXZRVVCOGNZJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5S/c1-13-5-6-15(9-17(13)24(25,26)27)22-29-19-8-14(2)18(10-20(19)30-22)31-23-32-21(12-33-23)16-4-3-7-28-11-16/h3-12H,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 465.50 g/mol, XLogP of 7.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90466964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).