1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole

C12H8ClFN4 — CID 123693539

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1nc(Cl)ncc1F
InChIInChI=1S/C12H8ClFN4/c1-7-16-9-4-2-3-5-10(9)18(7)11-8(14)6-15-12(13)17-11/h2-6H,1H3
InChIKeyUWIZRDVHMPRLLJ-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.92
Rot. Bonds1

About 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole

1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole (PubChem CID 123693539) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole
PubChem CID123693539
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1nc(Cl)ncc1F
InChIInChI=1S/C12H8ClFN4/c1-7-16-9-4-2-3-5-10(9)18(7)11-8(14)6-15-12(13)17-11/h2-6H,1H3
InChIKeyUWIZRDVHMPRLLJ-UHFFFAOYSA-N
XLogP2.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
CID 112676678
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
CID 58979572
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
CID 79753555
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole
CID 106797317
2-chloro-8-methyl-9-phenylpurine
CID 150775860
1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
CID 22507050
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine
CID 79076106
ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
CID 90736229

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole (CID 123693539) is 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1nc(Cl)ncc1F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole?
The InChIKey is UWIZRDVHMPRLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c1-7-16-9-4-2-3-5-10(9)18(7)11-8(14)6-15-12(13)17-11/h2-6H,1H3.
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole?
1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole has a molecular weight of 262.68 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole is sourced from PubChem (CID 123693539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).