1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone

C19H22N4O2 — CID 94334132

IUPAC1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(11-14-3-1-2-4-14)22-7-9-23(10-8-22)19(25)15-5-6-16-17(12-15)21-13-20-16/h1,3,5-6,12-14H,2,4,7-11H2,(H,20,21)/t14-/m0/s1
InChIKeyLLUQBFCMBMSWNU-AWEZNQCLSA-N
MW338.41 g/mol
LogP2.20
Rot. Bonds3

About 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone

1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (PubChem CID 94334132) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
PubChem CID94334132
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(11-14-3-1-2-4-14)22-7-9-23(10-8-22)19(25)15-5-6-16-17(12-15)21-13-20-16/h1,3,5-6,12-14H,2,4,7-11H2,(H,20,21)/t14-/m0/s1
InChIKeyLLUQBFCMBMSWNU-AWEZNQCLSA-N
XLogP2.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 47069229
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 29154201
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108547374
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-(4-hydroxycyclohexyl)methanone;formic acid
CID 154914499
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43582193

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The IUPAC name of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone (CID 94334132) is 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The canonical SMILES for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is O=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
The InChIKey is LLUQBFCMBMSWNU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(11-14-3-1-2-4-14)22-7-9-23(10-8-22)19(25)15-5-6-16-17(12-15)21-13-20-16/h1,3,5-6,12-14H,2,4,7-11H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone?
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone is sourced from PubChem (CID 94334132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).