[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone

C22H26N4O3 — CID 142695591

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3nc4cc(C)c(C)cc4[nH]3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-14-9-19-20(10-15(14)2)24-21(23-19)22(27)26-7-5-25(6-8-26)16-11-17(28-3)13-18(12-16)29-4/h9-13H,5-8H2,1-4H3,(H,23,24)
InChIKeyRKALBTLDAPGQRO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.16
Rot. Bonds4

About [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone (PubChem CID 142695591) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone
PubChem CID142695591
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3nc4cc(C)c(C)cc4[nH]3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-14-9-19-20(10-15(14)2)24-21(23-19)22(27)26-7-5-25(6-8-26)16-11-17(28-3)13-18(12-16)29-4/h9-13H,5-8H2,1-4H3,(H,23,24)
InChIKeyRKALBTLDAPGQRO-UHFFFAOYSA-N
XLogP3.16
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856445
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone
CID 11487853
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10001274
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136890092
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 11383785

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone (CID 142695591) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone is COc1cc(OC)cc(N2CCN(C(=O)c3nc4cc(C)c(C)cc4[nH]3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone?
The InChIKey is RKALBTLDAPGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-9-19-20(10-15(14)2)24-21(23-19)22(27)26-7-5-25(6-8-26)16-11-17(28-3)13-18(12-16)29-4/h9-13H,5-8H2,1-4H3,(H,23,24).
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(5,6-dimethyl-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 142695591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).