1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate

C15H15ClN4O2 — CID 71976402

IUPAC1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cnn(C)c1)c1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C15H15ClN4O2/c1-9(22-15(21)10-7-17-19(2)8-10)14-18-12-5-4-11(16)6-13(12)20(14)3/h4-9H,1-3H3
InChIKeyXHAHDAHBFRPJDM-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.88
Rot. Bonds3

About 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate

1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate (PubChem CID 71976402) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate
PubChem CID71976402
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cnn(C)c1)c1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C15H15ClN4O2/c1-9(22-15(21)10-7-17-19(2)8-10)14-18-12-5-4-11(16)6-13(12)20(14)3/h4-9H,1-3H3
InChIKeyXHAHDAHBFRPJDM-UHFFFAOYSA-N
XLogP2.88
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate?
The IUPAC name of 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate (CID 71976402) is 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate?
The canonical SMILES for 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate is CC(OC(=O)c1cnn(C)c1)c1nc2ccc(Cl)cc2n1C.
What is the InChIKey of 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate?
The InChIKey is XHAHDAHBFRPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-9(22-15(21)10-7-17-19(2)8-10)14-18-12-5-4-11(16)6-13(12)20(14)3/h4-9H,1-3H3.
What are the key properties of 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate?
1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate has a molecular weight of 318.76 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-methylbenzimidazol-2-yl)ethyl 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 71976402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).