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

C24H17F3N6 — CID 90468101

IUPAC6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
SMILESCc1cc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C24H17F3N6/c1-14-10-20-21(31-22(30-20)15-4-2-6-17(11-15)24(25,26)27)12-19(14)33-23-29-9-7-18(32-23)16-5-3-8-28-13-16/h2-13H,1H3,(H,30,31)(H,29,32,33)
InChIKeyYDTHAQBBDZWBSK-UHFFFAOYSA-N
MW446.44 g/mol
LogP6.15
Rot. Bonds4

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

6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine (PubChem CID 90468101) has the molecular formula C24H17F3N6 and a molecular weight of 446.44 g/mol. Its IUPAC name is 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
PubChem CID90468101
Molecular FormulaC24H17F3N6
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Name6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
SMILESCc1cc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C24H17F3N6/c1-14-10-20-21(31-22(30-20)15-4-2-6-17(11-15)24(25,26)27)12-19(14)33-23-29-9-7-18(32-23)16-5-3-8-28-13-16/h2-13H,1H3,(H,30,31)(H,29,32,33)
InChIKeyYDTHAQBBDZWBSK-UHFFFAOYSA-N
XLogP6.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.44
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25115316
N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25115318
N-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040861
N-[6-methyl-2-[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90466088
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 174611243
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 91409436
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 174444600
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
5-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxamide
CID 11956544
4-methyl-N-[2-methyl-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 164898147
N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90467537

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The IUPAC name of 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine (CID 90468101) is 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine.
What is the SMILES notation for 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The canonical SMILES for 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine is Cc1cc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The InChIKey is YDTHAQBBDZWBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6/c1-14-10-20-21(31-22(30-20)15-4-2-6-17(11-15)24(25,26)27)12-19(14)33-23-29-9-7-18(32-23)16-5-3-8-28-13-16/h2-13H,1H3,(H,30,31)(H,29,32,33).
What are the key properties of 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine has a molecular weight of 446.44 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine is sourced from PubChem (CID 90468101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).