1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole

C19H14FN3 — CID 56953599

IUPAC1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccc(F)cc1
InChIInChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-18-19(16)22-12-23(18)15-7-5-14(20)6-8-15/h2-12H,1H3
InChIKeyAQXHFCCZWIKYTE-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.54
Rot. Bonds2

About 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole

1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole (PubChem CID 56953599) has the molecular formula C19H14FN3 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole
PubChem CID56953599
Molecular FormulaC19H14FN3
Molecular Weight303.34 g/mol
Exact Mass303.12
IUPAC Name1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccc(F)cc1
InChIInChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-18-19(16)22-12-23(18)15-7-5-14(20)6-8-15/h2-12H,1H3
InChIKeyAQXHFCCZWIKYTE-UHFFFAOYSA-N
XLogP4.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole (CID 56953599) is 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole is Cc1ccncc1-c1cccc2c1ncn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
The InChIKey is AQXHFCCZWIKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-18-19(16)22-12-23(18)15-7-5-14(20)6-8-15/h2-12H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole has a molecular weight of 303.34 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-methyl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56953599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).