2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone

C18H28N4O2 — CID 128660902

IUPAC2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-19-7-10-22(15)14-18(24)21-9-4-8-20(11-12-21)17(23)13-16-5-2-3-6-16/h7,10,16H,2-6,8-9,11-14H2,1H3
InChIKeyUBSXIJGZGXNBKW-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.83
Rot. Bonds4

About 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone

2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 128660902) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone
PubChem CID128660902
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-19-7-10-22(15)14-18(24)21-9-4-8-20(11-12-21)17(23)13-16-5-2-3-6-16/h7,10,16H,2-6,8-9,11-14H2,1H3
InChIKeyUBSXIJGZGXNBKW-UHFFFAOYSA-N
XLogP1.83
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone (CID 128660902) is 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone is Cc1nccn1CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is UBSXIJGZGXNBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-19-7-10-22(15)14-18(24)21-9-4-8-20(11-12-21)17(23)13-16-5-2-3-6-16/h7,10,16H,2-6,8-9,11-14H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone?
2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 332.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 128660902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).