6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole

C21H26N4O — CID 11175544

IUPAC6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(CCCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C21H26N4O/c1-26-21-7-3-2-6-20(21)25-13-11-24(12-14-25)10-4-5-17-8-9-18-19(15-17)23-16-22-18/h2-3,6-9,15-16H,4-5,10-14H2,1H3,(H,22,23)
InChIKeyNLBCAUCTUSFOKY-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.33
Rot. Bonds6

About 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole

6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole (PubChem CID 11175544) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole
PubChem CID11175544
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(CCCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C21H26N4O/c1-26-21-7-3-2-6-20(21)25-13-11-24(12-14-25)10-4-5-17-8-9-18-19(15-17)23-16-22-18/h2-3,6-9,15-16H,4-5,10-14H2,1H3,(H,22,23)
InChIKeyNLBCAUCTUSFOKY-UHFFFAOYSA-N
XLogP3.33
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole?
The IUPAC name of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole (CID 11175544) is 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole.
What is the SMILES notation for 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole?
The canonical SMILES for 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole is COc1ccccc1N1CCN(CCCc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole?
The InChIKey is NLBCAUCTUSFOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-26-21-7-3-2-6-20(21)25-13-11-24(12-14-25)10-4-5-17-8-9-18-19(15-17)23-16-22-18/h2-3,6-9,15-16H,4-5,10-14H2,1H3,(H,22,23).
What are the key properties of 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole?
6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole has a molecular weight of 350.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-benzimidazole is sourced from PubChem (CID 11175544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).