(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone

C22H26N4O2 — CID 171914202

IUPAC(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCc3nc4ccc(C)cc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-16-3-8-19-20(15-16)24-21(23-19)9-10-25-11-13-26(14-12-25)22(27)17-4-6-18(28-2)7-5-17/h3-8,15H,9-14H2,1-2H3,(H,23,24)
InChIKeySSVQPJIOBKWJPF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.88
Rot. Bonds5

About (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 171914202) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID171914202
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCc3nc4ccc(C)cc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-16-3-8-19-20(15-16)24-21(23-19)9-10-25-11-13-26(14-12-25)22(27)17-4-6-18(28-2)7-5-17/h3-8,15H,9-14H2,1-2H3,(H,23,24)
InChIKeySSVQPJIOBKWJPF-UHFFFAOYSA-N
XLogP2.88
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 171914202) is (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCc3nc4ccc(C)cc4[nH]3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is SSVQPJIOBKWJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-3-8-19-20(15-16)24-21(23-19)9-10-25-11-13-26(14-12-25)22(27)17-4-6-18(28-2)7-5-17/h3-8,15H,9-14H2,1-2H3,(H,23,24).
What are the key properties of (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 171914202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).