1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one

C23H28N4O2 — CID 131943539

IUPAC1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
SMILESCOc1cccc(CN2CCN(C(=O)CCn3c(C)nc4ccccc43)CC2)c1
InChIInChI=1S/C23H28N4O2/c1-18-24-21-8-3-4-9-22(21)27(18)11-10-23(28)26-14-12-25(13-15-26)17-19-6-5-7-20(16-19)29-2/h3-9,16H,10-15,17H2,1-2H3
InChIKeyUGHVWYGWRAXABK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.09
Rot. Bonds6

About 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one (PubChem CID 131943539) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
PubChem CID131943539
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
SMILESCOc1cccc(CN2CCN(C(=O)CCn3c(C)nc4ccccc43)CC2)c1
InChIInChI=1S/C23H28N4O2/c1-18-24-21-8-3-4-9-22(21)27(18)11-10-23(28)26-14-12-25(13-15-26)17-19-6-5-7-20(16-19)29-2/h3-9,16H,10-15,17H2,1-2H3
InChIKeyUGHVWYGWRAXABK-UHFFFAOYSA-N
XLogP3.09
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one with MolForge

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Related Compounds

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3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
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3-(3-methoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one (CID 131943539) is 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one is COc1cccc(CN2CCN(C(=O)CCn3c(C)nc4ccccc43)CC2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one?
The InChIKey is UGHVWYGWRAXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-24-21-8-3-4-9-22(21)27(18)11-10-23(28)26-14-12-25(13-15-26)17-19-6-5-7-20(16-19)29-2/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one?
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one is sourced from PubChem (CID 131943539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).