2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone

C24H30N4O3 — CID 46375629

IUPAC2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1OCC
InChIInChI=1S/C24H30N4O3/c1-4-30-21-11-10-18(16-22(21)31-5-2)17-23(29)27-12-14-28(15-13-27)24-25-19-8-6-7-9-20(19)26(24)3/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyPTNPZKZVLAZFFO-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.26
Rot. Bonds7

About 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone

2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 46375629) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID46375629
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1OCC
InChIInChI=1S/C24H30N4O3/c1-4-30-21-11-10-18(16-22(21)31-5-2)17-23(29)27-12-14-28(15-13-27)24-25-19-8-6-7-9-20(19)26(24)3/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyPTNPZKZVLAZFFO-UHFFFAOYSA-N
XLogP3.26
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 155161689
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 71709857
2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 19572435
2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
2-(3,4-diethoxyphenyl)-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 91888829
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
ethyl (3R)-3-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879184
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364977
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone (CID 46375629) is 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is PTNPZKZVLAZFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-30-21-11-10-18(16-22(21)31-5-2)17-23(29)27-12-14-28(15-13-27)24-25-19-8-6-7-9-20(19)26(24)3/h6-11,16H,4-5,12-15,17H2,1-3H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 422.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46375629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).