5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole

C17H26N4O — CID 83967757

IUPAC5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(CN1CCNCC1)n2CC(C)C
InChIInChI=1S/C17H26N4O/c1-13(2)11-21-16-5-4-14(22-3)10-15(16)19-17(21)12-20-8-6-18-7-9-20/h4-5,10,13,18H,6-9,11-12H2,1-3H3
InChIKeySHYKKRIGLZJCIB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.11
Rot. Bonds5

About 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole

5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole (PubChem CID 83967757) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
PubChem CID83967757
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(CN1CCNCC1)n2CC(C)C
InChIInChI=1S/C17H26N4O/c1-13(2)11-21-16-5-4-14(22-3)10-15(16)19-17(21)12-20-8-6-18-7-9-20/h4-5,10,13,18H,6-9,11-12H2,1-3H3
InChIKeySHYKKRIGLZJCIB-UHFFFAOYSA-N
XLogP2.11
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole?
The IUPAC name of 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole (CID 83967757) is 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole?
The canonical SMILES for 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole is COc1ccc2c(c1)nc(CN1CCNCC1)n2CC(C)C.
What is the InChIKey of 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole?
The InChIKey is SHYKKRIGLZJCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13(2)11-21-16-5-4-14(22-3)10-15(16)19-17(21)12-20-8-6-18-7-9-20/h4-5,10,13,18H,6-9,11-12H2,1-3H3.
What are the key properties of 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole?
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole has a molecular weight of 302.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 83967757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).