1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole

C16H17ClN4 — CID 80939782

IUPAC1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole
SMILESCCCc1nc(Cl)cc(-n2cnc3cc(C)c(C)cc32)n1
InChIInChI=1S/C16H17ClN4/c1-4-5-15-19-14(17)8-16(20-15)21-9-18-12-6-10(2)11(3)7-13(12)21/h6-9H,4-5H2,1-3H3
InChIKeyJQEQNSFGXLBSOJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.04
Rot. Bonds3

About 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole

1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole (PubChem CID 80939782) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole
PubChem CID80939782
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole
SMILESCCCc1nc(Cl)cc(-n2cnc3cc(C)c(C)cc32)n1
InChIInChI=1S/C16H17ClN4/c1-4-5-15-19-14(17)8-16(20-15)21-9-18-12-6-10(2)11(3)7-13(12)21/h6-9H,4-5H2,1-3H3
InChIKeyJQEQNSFGXLBSOJ-UHFFFAOYSA-N
XLogP4.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
CID 112726059
1-[6-(chloromethyl)pyridazin-3-yl]-5,6-dimethylbenzimidazole
CID 61257451
[6-(5,6-dimethylbenzimidazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900481
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
CID 80945243
4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine
CID 80901487
1-[2-chloro-4-(chloromethyl)phenyl]-5,6-dimethylbenzimidazole
CID 81152281
2-(5,6-dimethylbenzimidazol-1-yl)quinoline
CID 17411926
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
2-(chloromethyl)-5-(5,6-dimethylbenzimidazol-1-yl)-1,3,4-thiadiazole
CID 80618393
[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol
CID 61258131

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole (CID 80939782) is 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole is CCCc1nc(Cl)cc(-n2cnc3cc(C)c(C)cc32)n1.
What is the InChIKey of 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole?
The InChIKey is JQEQNSFGXLBSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-4-5-15-19-14(17)8-16(20-15)21-9-18-12-6-10(2)11(3)7-13(12)21/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole?
1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole has a molecular weight of 300.79 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole is sourced from PubChem (CID 80939782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).