4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine

C24H22F4N6O — CID 146315060

IUPAC4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine
SMILESCOc1ccc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(NC4CCCNC4)n3)c2c1
InChIInChI=1S/C24H22F4N6O/c1-35-16-5-7-19-20(12-16)34(21-8-10-30-23(33-21)31-15-3-2-9-29-13-15)22(32-19)14-4-6-18(25)17(11-14)24(26,27)28/h4-8,10-12,15,29H,2-3,9,13H2,1H3,(H,30,31,33)
InChIKeyAKPNMABOVPPZJR-UHFFFAOYSA-N
MW486.47 g/mol
LogP4.81
Rot. Bonds5

About 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine

4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine (PubChem CID 146315060) has the molecular formula C24H22F4N6O and a molecular weight of 486.47 g/mol. Its IUPAC name is 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine
PubChem CID146315060
Molecular FormulaC24H22F4N6O
Molecular Weight486.47 g/mol
Exact Mass486.18
IUPAC Name4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine
SMILESCOc1ccc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(NC4CCCNC4)n3)c2c1
InChIInChI=1S/C24H22F4N6O/c1-35-16-5-7-19-20(12-16)34(21-8-10-30-23(33-21)31-15-3-2-9-29-13-15)22(32-19)14-4-6-18(25)17(11-14)24(26,27)28/h4-8,10-12,15,29H,2-3,9,13H2,1H3,(H,30,31,33)
InChIKeyAKPNMABOVPPZJR-UHFFFAOYSA-N
XLogP4.81
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 142742991
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146961167
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylbenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 158391357
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxybenzimidazol-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 142742978
cyclopropyl-[(3S)-3-[[4-[2-(3,4-dichlorophenyl)-6-methoxybenzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 142743003
cyclopropanecarbonyl chloride;cyclopropyl-[(3S)-3-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxybenzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone;4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxybenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 158207064
2-[2-naphthalen-2-yl-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazol-4-yl]propanenitrile
CID 153397142
tert-butyl (3S)-3-[[4-(6-methoxy-2-quinolin-2-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 146315074
cyclopropyl-[(3S)-3-[[4-(6-methoxy-2-quinolin-2-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 142742967
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
1-[2-(cyclohexylamino)pyrimidin-4-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]benzimidazol-5-ol
CID 159404689
6-methoxy-4-methyl-N-pyrrolidin-3-ylquinolin-2-amine
CID 67443498

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine (CID 146315060) is 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine is COc1ccc2nc(-c3ccc(F)c(C(F)(F)F)c3)n(-c3ccnc(NC4CCCNC4)n3)c2c1.
What is the InChIKey of 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is AKPNMABOVPPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N6O/c1-35-16-5-7-19-20(12-16)34(21-8-10-30-23(33-21)31-15-3-2-9-29-13-15)22(32-19)14-4-6-18(25)17(11-14)24(26,27)28/h4-8,10-12,15,29H,2-3,9,13H2,1H3,(H,30,31,33).
What are the key properties of 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine?
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 486.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methoxybenzimidazol-1-yl]-N-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 146315060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).