2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

C21H22N4O3 — CID 70756985

IUPAC2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc43)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-28-17-6-4-5-16(13-17)21(27)24-11-9-23(10-12-24)20(26)14-25-15-22-18-7-2-3-8-19(18)25/h2-8,13,15H,9-12,14H2,1H3
InChIKeyQVZQVLPZBIKCFY-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.03
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 70756985) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID70756985
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc43)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-28-17-6-4-5-16(13-17)21(27)24-11-9-23(10-12-24)20(26)14-25-15-22-18-7-2-3-8-19(18)25/h2-8,13,15H,9-12,14H2,1H3
InChIKeyQVZQVLPZBIKCFY-UHFFFAOYSA-N
XLogP2.03
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 71780826
2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 70751844
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3-methoxyphenyl)methanone
CID 110872433
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
2-(4-chlorophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 1074737
2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 38046701
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51926336
3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (CID 70756985) is 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is COc1cccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc43)CC2)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is QVZQVLPZBIKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-17-6-4-5-16(13-17)21(27)24-11-9-23(10-12-24)20(26)14-25-15-22-18-7-2-3-8-19(18)25/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 378.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70756985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).