6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole

C14H11ClF2N4 — CID 145177684

IUPAC6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole
SMILESCCn1c(C)nc2c(F)cc(-c3nc(Cl)ncc3F)cc21
InChIInChI=1S/C14H11ClF2N4/c1-3-21-7(2)19-13-9(16)4-8(5-11(13)21)12-10(17)6-18-14(15)20-12/h4-6H,3H2,1-2H3
InChIKeyWBNVYKVHGVQOBR-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.75
Rot. Bonds2

About 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole

6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole (PubChem CID 145177684) has the molecular formula C14H11ClF2N4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole
PubChem CID145177684
Molecular FormulaC14H11ClF2N4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole
SMILESCCn1c(C)nc2c(F)cc(-c3nc(Cl)ncc3F)cc21
InChIInChI=1S/C14H11ClF2N4/c1-3-21-7(2)19-13-9(16)4-8(5-11(13)21)12-10(17)6-18-14(15)20-12/h4-6H,3H2,1-2H3
InChIKeyWBNVYKVHGVQOBR-UHFFFAOYSA-N
XLogP3.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole;difluoromethane
CID 145177683
(3R)-3-[6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methylbenzimidazol-1-yl]butanoic acid
CID 166707171
7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 129102619
4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole
CID 141417931
4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
CID 142373688
4-(3-ethyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoro-N-[5-[1-(1-methylpiperidin-4-yl)ethenyl]-2-pyridinyl]pyrimidin-2-amine
CID 146603868
2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
CID 163381282
5-(2-chloro-5-fluoropyrimidin-4-yl)-7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155281833
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 158196344
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
CID 79078918

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole?
The IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole (CID 145177684) is 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole.
What is the SMILES notation for 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole?
The canonical SMILES for 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole is CCn1c(C)nc2c(F)cc(-c3nc(Cl)ncc3F)cc21.
What is the InChIKey of 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole?
The InChIKey is WBNVYKVHGVQOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4/c1-3-21-7(2)19-13-9(16)4-8(5-11(13)21)12-10(17)6-18-14(15)20-12/h4-6H,3H2,1-2H3.
What are the key properties of 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole?
6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole has a molecular weight of 308.72 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole is sourced from PubChem (CID 145177684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).