1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole

C18H13FN4 — CID 56953601

IUPAC1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1cccc(F)n1
InChIInChI=1S/C18H13FN4/c1-12-8-9-20-10-14(12)13-4-2-5-15-18(13)21-11-23(15)17-7-3-6-16(19)22-17/h2-11H,1H3
InChIKeyPAFBEEOMXLKLKS-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.93
Rot. Bonds2

About 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole

1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole (PubChem CID 56953601) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole
PubChem CID56953601
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1cccc(F)n1
InChIInChI=1S/C18H13FN4/c1-12-8-9-20-10-14(12)13-4-2-5-15-18(13)21-11-23(15)17-7-3-6-16(19)22-17/h2-11H,1H3
InChIKeyPAFBEEOMXLKLKS-UHFFFAOYSA-N
XLogP3.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole (CID 56953601) is 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole is Cc1ccncc1-c1cccc2c1ncn2-c1cccc(F)n1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
The InChIKey is PAFBEEOMXLKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c1-12-8-9-20-10-14(12)13-4-2-5-15-18(13)21-11-23(15)17-7-3-6-16(19)22-17/h2-11H,1H3.
What are the key properties of 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole?
1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole has a molecular weight of 304.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56953601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).