4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole

C19H13F3N4 — CID 56953605

IUPAC4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N4/c1-12-8-9-23-10-14(12)13-4-2-5-15-18(13)24-11-26(15)17-7-3-6-16(25-17)19(20,21)22/h2-11H,1H3
InChIKeyHHNYTYCFMNXBSW-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.81
Rot. Bonds2

About 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole

4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole (PubChem CID 56953605) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole.

Molecular Properties

Compound Name4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole
PubChem CID56953605
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N4/c1-12-8-9-23-10-14(12)13-4-2-5-15-18(13)24-11-26(15)17-7-3-6-16(25-17)19(20,21)22/h2-11H,1H3
InChIKeyHHNYTYCFMNXBSW-UHFFFAOYSA-N
XLogP4.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole?
The IUPAC name of 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole (CID 56953605) is 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole.
What is the SMILES notation for 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole?
The canonical SMILES for 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole is Cc1ccncc1-c1cccc2c1ncn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole?
The InChIKey is HHNYTYCFMNXBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-12-8-9-23-10-14(12)13-4-2-5-15-18(13)24-11-26(15)17-7-3-6-16(25-17)19(20,21)22/h2-11H,1H3.
What are the key properties of 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole?
4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole has a molecular weight of 354.34 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]benzimidazole is sourced from PubChem (CID 56953605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).