[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone

C27H26N4O4 — CID 55953307

IUPAC[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(OC)c1
InChIInChI=1S/C27H26N4O4/c1-34-21-11-12-22(25(17-21)35-2)27(33)30-15-13-29(14-16-30)26(32)19-7-9-20(10-8-19)31-18-28-23-5-3-4-6-24(23)31/h3-12,17-18H,13-16H2,1-2H3
InChIKeyZNLIDVPKAAKBTJ-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.64
Rot. Bonds5

About [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone

[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 55953307) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
PubChem CID55953307
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(OC)c1
InChIInChI=1S/C27H26N4O4/c1-34-21-11-12-22(25(17-21)35-2)27(33)30-15-13-29(14-16-30)26(32)19-7-9-20(10-8-19)31-18-28-23-5-3-4-6-24(23)31/h3-12,17-18H,13-16H2,1-2H3
InChIKeyZNLIDVPKAAKBTJ-UHFFFAOYSA-N
XLogP3.64
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
[4-(benzimidazol-1-yl)phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 24620150
[4-(benzimidazol-1-yl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 17448989
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
[4-(benzimidazol-1-yl)phenyl]-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 78824493
[4-(benzimidazol-1-yl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976869
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 92786824
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17438768
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572911

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone (CID 55953307) is [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(OC)c1.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is ZNLIDVPKAAKBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-34-21-11-12-22(25(17-21)35-2)27(33)30-15-13-29(14-16-30)26(32)19-7-9-20(10-8-19)31-18-28-23-5-3-4-6-24(23)31/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 470.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55953307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).