[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone

C17H22N4O — CID 44783443

IUPAC[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H22N4O/c22-17(12-5-1-2-6-12)21-10-9-18-11-15(21)16-19-13-7-3-4-8-14(13)20-16/h3-4,7-8,12,15,18H,1-2,5-6,9-11H2,(H,19,20)
InChIKeyGVKBZZNWXRDAKE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.23
Rot. Bonds2

About [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone

[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 44783443) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID44783443
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H22N4O/c22-17(12-5-1-2-6-12)21-10-9-18-11-15(21)16-19-13-7-3-4-8-14(13)20-16/h3-4,7-8,12,15,18H,1-2,5-6,9-11H2,(H,19,20)
InChIKeyGVKBZZNWXRDAKE-UHFFFAOYSA-N
XLogP2.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 44783456
[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 44783449
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 95807216
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 44783497
2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole
CID 44783469
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
CID 44783549
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
CID 44783462

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone (CID 44783443) is [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCNCC1c1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is GVKBZZNWXRDAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(12-5-1-2-6-12)21-10-9-18-11-15(21)16-19-13-7-3-4-8-14(13)20-16/h3-4,7-8,12,15,18H,1-2,5-6,9-11H2,(H,19,20).
What are the key properties of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone?
[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 298.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 44783443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).