4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C18H12F3N5 — CID 170970601

IUPAC4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nccc(-c3ccc4nc[nH]c4c3)n2)cc1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)12-2-4-13(5-3-12)25-17-22-8-7-14(26-17)11-1-6-15-16(9-11)24-10-23-15/h1-10H,(H,23,24)(H,22,25,26)
InChIKeyXVMXIHGQKNBVLB-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.78
Rot. Bonds3

About 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 170970601) has the molecular formula C18H12F3N5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID170970601
Molecular FormulaC18H12F3N5
Molecular Weight355.32 g/mol
Exact Mass355.10
IUPAC Name4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nccc(-c3ccc4nc[nH]c4c3)n2)cc1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)12-2-4-13(5-3-12)25-17-22-8-7-14(26-17)11-1-6-15-16(9-11)24-10-23-15/h1-10H,(H,23,24)(H,22,25,26)
InChIKeyXVMXIHGQKNBVLB-UHFFFAOYSA-N
XLogP4.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3H-benzimidazol-5-yl)-N-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 170970687
4-(3H-benzimidazol-5-yl)-N-[3-(trifluoromethylsulfinyl)phenyl]pyrimidin-2-amine
CID 170970839
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828
S-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]thiohydroxylamine
CID 170970796
4-(1H-imidazo[4,5-b]pyridin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970519
4-(7-fluoro-3H-benzimidazol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970666
N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide
CID 170970468
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 15952108
[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 170970809
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 174793000
4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 170970828

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 170970601) is 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1ccc(Nc2nccc(-c3ccc4nc[nH]c4c3)n2)cc1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is XVMXIHGQKNBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5/c19-18(20,21)12-2-4-13(5-3-12)25-17-22-8-7-14(26-17)11-1-6-15-16(9-11)24-10-23-15/h1-10H,(H,23,24)(H,22,25,26).
What are the key properties of 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 355.32 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 170970601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).