1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole

C17H13F3N4 — CID 711808

IUPAC1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole
SMILESCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H13F3N4/c1-23-13-8-4-2-6-11(13)21-15(23)10-24-14-9-5-3-7-12(14)22-16(24)17(18,19)20/h2-9H,10H2,1H3
InChIKeyPXQZWDNMZXRGED-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.99
Rot. Bonds2

About 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole

1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole (PubChem CID 711808) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole
PubChem CID711808
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC Name1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole
SMILESCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H13F3N4/c1-23-13-8-4-2-6-11(13)21-15(23)10-24-14-9-5-3-7-12(14)22-16(24)17(18,19)20/h2-9H,10H2,1H3
InChIKeyPXQZWDNMZXRGED-UHFFFAOYSA-N
XLogP3.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole (CID 711808) is 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole is Cn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole?
The InChIKey is PXQZWDNMZXRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c1-23-13-8-4-2-6-11(13)21-15(23)10-24-14-9-5-3-7-12(14)22-16(24)17(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole?
1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole has a molecular weight of 330.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzimidazole is sourced from PubChem (CID 711808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).