1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole

C12H9ClN4 — CID 58979572

IUPAC1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccnc(Cl)n1
InChIInChI=1S/C12H9ClN4/c1-8-15-9-4-2-3-5-10(9)17(8)11-6-7-14-12(13)16-11/h2-7H,1H3
InChIKeyDUOFKAXTWLYYOB-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.78
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole

1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole (PubChem CID 58979572) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
PubChem CID58979572
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccnc(Cl)n1
InChIInChI=1S/C12H9ClN4/c1-8-15-9-4-2-3-5-10(9)17(8)11-6-7-14-12(13)16-11/h2-7H,1H3
InChIKeyDUOFKAXTWLYYOB-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
CID 90736229
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole
CID 123693539
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204
ethane;2-methyl-1-(6-methylpyrimidin-4-yl)benzimidazole
CID 91611201
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)-6-(2-methylindol-1-yl)-4-pyridinyl]benzimidazole
CID 58625626
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
CID 79753555
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
2-chloro-8-methyl-9-phenylpurine
CID 150775860

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole (CID 58979572) is 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ccnc(Cl)n1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole?
The InChIKey is DUOFKAXTWLYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-8-15-9-4-2-3-5-10(9)17(8)11-6-7-14-12(13)16-11/h2-7H,1H3.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole?
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole has a molecular weight of 244.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole is sourced from PubChem (CID 58979572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).