1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one

C21H28N4O2 — CID 135097253

IUPAC1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one
SMILESCc1ccc2[nH]c(CCC(=O)N3CCN(C4CCCC4)C(=O)C3)nc2c1C
InChIInChI=1S/C21H28N4O2/c1-14-7-8-17-21(15(14)2)23-18(22-17)9-10-19(26)24-11-12-25(20(27)13-24)16-5-3-4-6-16/h7-8,16H,3-6,9-13H2,1-2H3,(H,22,23)
InChIKeyMTDNSNJGPQDUTL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.73
Rot. Bonds4

About 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one

1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one (PubChem CID 135097253) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one
PubChem CID135097253
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one
SMILESCc1ccc2[nH]c(CCC(=O)N3CCN(C4CCCC4)C(=O)C3)nc2c1C
InChIInChI=1S/C21H28N4O2/c1-14-7-8-17-21(15(14)2)23-18(22-17)9-10-19(26)24-11-12-25(20(27)13-24)16-5-3-4-6-16/h7-8,16H,3-6,9-13H2,1-2H3,(H,22,23)
InChIKeyMTDNSNJGPQDUTL-UHFFFAOYSA-N
XLogP2.73
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 122564123
1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 50950126
(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide
CID 122571426
3-(4-methyl-1H-benzimidazol-2-yl)-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 166227033
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119485259
1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711
3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 126814222
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
CID 90654010
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119632771
(4S)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125176987
1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one
CID 118780672

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one (CID 135097253) is 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one is Cc1ccc2[nH]c(CCC(=O)N3CCN(C4CCCC4)C(=O)C3)nc2c1C.
What is the InChIKey of 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one?
The InChIKey is MTDNSNJGPQDUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-7-8-17-21(15(14)2)23-18(22-17)9-10-19(26)24-11-12-25(20(27)13-24)16-5-3-4-6-16/h7-8,16H,3-6,9-13H2,1-2H3,(H,22,23).
What are the key properties of 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one?
1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one has a molecular weight of 368.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 135097253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).