3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one

C21H26N4O2 — CID 23369416

IUPAC3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)
InChIKeyYERGVXFJQYPXLJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.55
Rot. Bonds6

About 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one

3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 23369416) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
PubChem CID23369416
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)
InChIKeyYERGVXFJQYPXLJ-UHFFFAOYSA-N
XLogP2.55
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one (CID 23369416) is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one is COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
The InChIKey is YERGVXFJQYPXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26).
What are the key properties of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one?
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 23369416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).