1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone

C20H26N4O2 — CID 110801719

IUPAC1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone
SMILESCn1cnc2cc(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)ccc21
InChIInChI=1S/C20H26N4O2/c1-22-14-21-17-12-15(6-7-18(17)22)13-19(25)23-8-10-24(11-9-23)20(26)16-4-2-3-5-16/h6-7,12,14,16H,2-5,8-11,13H2,1H3
InChIKeyIPKCJXRWWDSMML-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.98
Rot. Bonds3

About 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone (PubChem CID 110801719) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone
PubChem CID110801719
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone
SMILESCn1cnc2cc(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)ccc21
InChIInChI=1S/C20H26N4O2/c1-22-14-21-17-12-15(6-7-18(17)22)13-19(25)23-8-10-24(11-9-23)20(26)16-4-2-3-5-16/h6-7,12,14,16H,2-5,8-11,13H2,1H3
InChIKeyIPKCJXRWWDSMML-UHFFFAOYSA-N
XLogP1.98
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
methyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803452
ethyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110772928
2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110803856
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone (CID 110801719) is 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone is Cn1cnc2cc(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)ccc21.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone?
The InChIKey is IPKCJXRWWDSMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22-14-21-17-12-15(6-7-18(17)22)13-19(25)23-8-10-24(11-9-23)20(26)16-4-2-3-5-16/h6-7,12,14,16H,2-5,8-11,13H2,1H3.
What are the key properties of 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone?
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone has a molecular weight of 354.45 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 110801719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).