1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone

C27H26N4O2 — CID 90040069

IUPAC1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(-c3nc4ccccc4n3Cc3ccccc3)c2)CC1
InChIInChI=1S/C27H26N4O2/c1-20(32)29-14-16-30(17-15-29)27(33)23-11-7-10-22(18-23)26-28-24-12-5-6-13-25(24)31(26)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19H2,1H3
InChIKeyWVWWJGMBRHNMBB-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone

1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 90040069) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
PubChem CID90040069
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(-c3nc4ccccc4n3Cc3ccccc3)c2)CC1
InChIInChI=1S/C27H26N4O2/c1-20(32)29-14-16-30(17-15-29)27(33)23-11-7-10-22(18-23)26-28-24-12-5-6-13-25(24)31(26)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19H2,1H3
InChIKeyWVWWJGMBRHNMBB-UHFFFAOYSA-N
XLogP4.06
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
1-benzyl-3-[4-(3-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837506
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 110899899
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
1-[4-[4-benzyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]piperazin-1-yl]ethanone
CID 126801295
N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide
CID 90040381
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone (CID 90040069) is 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc(-c3nc4ccccc4n3Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is WVWWJGMBRHNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-20(32)29-14-16-30(17-15-29)27(33)23-11-7-10-22(18-23)26-28-24-12-5-6-13-25(24)31(26)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone?
1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90040069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).