2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole

C19H23ClN6O — CID 46225373

IUPAC2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21
InChIInChI=1S/C19H23ClN6O/c1-27-11-10-26-17-5-3-2-4-16(17)23-18(26)14-24-6-8-25(9-7-24)19-21-12-15(20)13-22-19/h2-5,12-13H,6-11,14H2,1H3
InChIKeyCVWSJJBPQWZTHO-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.45
Rot. Bonds6

About 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole

2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole (PubChem CID 46225373) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
PubChem CID46225373
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21
InChIInChI=1S/C19H23ClN6O/c1-27-11-10-26-17-5-3-2-4-16(17)23-18(26)14-24-6-8-25(9-7-24)19-21-12-15(20)13-22-19/h2-5,12-13H,6-11,14H2,1H3
InChIKeyCVWSJJBPQWZTHO-UHFFFAOYSA-N
XLogP2.45
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole (CID 46225373) is 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole is COCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole?
The InChIKey is CVWSJJBPQWZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-27-11-10-26-17-5-3-2-4-16(17)23-18(26)14-24-6-8-25(9-7-24)19-21-12-15(20)13-22-19/h2-5,12-13H,6-11,14H2,1H3.
What are the key properties of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole?
2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole has a molecular weight of 386.89 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 46225373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).