7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole

C26H22F3N3 — CID 11178001

IUPAC7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1cc(-c2cccc(CN3CC=CCC3)c2)c2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C26H22F3N3/c27-26(28,29)21-15-23(20-9-7-8-19(14-20)17-31-12-5-2-6-13-31)25-24(16-21)30-18-32(25)22-10-3-1-4-11-22/h1-5,7-11,14-16,18H,6,12-13,17H2
InChIKeyUSFIWIRXDNXFCE-UHFFFAOYSA-N
MW433.48 g/mol
LogP6.47
Rot. Bonds4

About 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole

7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole (PubChem CID 11178001) has the molecular formula C26H22F3N3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
PubChem CID11178001
Molecular FormulaC26H22F3N3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1cc(-c2cccc(CN3CC=CCC3)c2)c2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C26H22F3N3/c27-26(28,29)21-15-23(20-9-7-8-19(14-20)17-31-12-5-2-6-13-31)25-24(16-21)30-18-32(25)22-10-3-1-4-11-22/h1-5,7-11,14-16,18H,6,12-13,17H2
InChIKeyUSFIWIRXDNXFCE-UHFFFAOYSA-N
XLogP6.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
CID 11462328
7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 11338440
7-iodo-1-phenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-7-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
CID 159280490
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
1-phenyl-7-[3-(1,2,3,6-tetrahydropyridin-2-yl)prop-1-ynyl]-5-(trifluoromethyl)benzimidazole
CID 67485730
(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
CID 11383636
7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
CID 11198141
6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
CID 158199390
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole (CID 11178001) is 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1cc(-c2cccc(CN3CC=CCC3)c2)c2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is USFIWIRXDNXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3/c27-26(28,29)21-15-23(20-9-7-8-19(14-20)17-31-12-5-2-6-13-31)25-24(16-21)30-18-32(25)22-10-3-1-4-11-22/h1-5,7-11,14-16,18H,6,12-13,17H2.
What are the key properties of 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 433.48 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 11178001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).