1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole

C13H11FN4 — CID 134862242

IUPAC1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3ncc(F)cn3)c2cc1C
InChIInChI=1S/C13H11FN4/c1-8-3-11-12(4-9(8)2)18(7-17-11)13-15-5-10(14)6-16-13/h3-7H,1-2H3
InChIKeyURLGNTOIWUERJX-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.57
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole

1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole (PubChem CID 134862242) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
PubChem CID134862242
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3ncc(F)cn3)c2cc1C
InChIInChI=1S/C13H11FN4/c1-8-3-11-12(4-9(8)2)18(7-17-11)13-15-5-10(14)6-16-13/h3-7H,1-2H3
InChIKeyURLGNTOIWUERJX-UHFFFAOYSA-N
XLogP2.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile
CID 63667851
5-(5,6-dimethylbenzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554356
(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol
CID 63372224
[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80900657
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)-5-fluoroaniline
CID 116736349
1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
CID 104778657
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
4-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzonitrile
CID 43657383
[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol
CID 61258131
[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80902137
4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
CID 112726059

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole (CID 134862242) is 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole is Cc1cc2ncn(-c3ncc(F)cn3)c2cc1C.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole?
The InChIKey is URLGNTOIWUERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-3-11-12(4-9(8)2)18(7-17-11)13-15-5-10(14)6-16-13/h3-7H,1-2H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole?
1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole has a molecular weight of 242.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole is sourced from PubChem (CID 134862242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).