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

C18H12F3N5 — CID 168807090

IUPACN-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
SMILESFC(F)(F)c1ccc(-c2nc3ccc(Nc4ccncn4)cc3[nH]2)cc1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)12-3-1-11(2-4-12)17-25-14-6-5-13(9-15(14)26-17)24-16-7-8-22-10-23-16/h1-10H,(H,25,26)(H,22,23,24)
InChIKeySGOGTVBPBXJVNK-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.78
Rot. Bonds3

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

N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine (PubChem CID 168807090) has the molecular formula C18H12F3N5 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
PubChem CID168807090
Molecular FormulaC18H12F3N5
Molecular Weight355.32 g/mol
Exact Mass355.10
IUPAC NameN-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
SMILESFC(F)(F)c1ccc(-c2nc3ccc(Nc4ccncn4)cc3[nH]2)cc1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)12-3-1-11(2-4-12)17-25-14-6-5-13(9-15(14)26-17)24-16-7-8-22-10-23-16/h1-10H,(H,25,26)(H,22,23,24)
InChIKeySGOGTVBPBXJVNK-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

6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 166873904
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11588862
6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 166873909
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]pyridin-4-amine
CID 157043965
4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 126676641
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine
CID 56642084

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
The IUPAC name of N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine (CID 168807090) is N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
The canonical SMILES for N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine is FC(F)(F)c1ccc(-c2nc3ccc(Nc4ccncn4)cc3[nH]2)cc1.
What is the InChIKey of N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
The InChIKey is SGOGTVBPBXJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5/c19-18(20,21)12-3-1-11(2-4-12)17-25-14-6-5-13(9-15(14)26-17)24-16-7-8-22-10-23-16/h1-10H,(H,25,26)(H,22,23,24).
What are the key properties of N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-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 N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 168807090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).