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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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).