1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one

C15H24N4O — CID 74238956

IUPAC1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one
SMILESO=C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CCN1
InChIInChI=1S/C15H24N4O/c20-15-5-7-19(8-6-16-15)11-13-10-17-14(18-13)9-12-3-1-2-4-12/h10,12H,1-9,11H2,(H,16,20)(H,17,18)
InChIKeyZTIFLAWXAZLMRU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.46
Rot. Bonds4

About 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one

1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one (PubChem CID 74238956) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one
PubChem CID74238956
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one
SMILESO=C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CCN1
InChIInChI=1S/C15H24N4O/c20-15-5-7-19(8-6-16-15)11-13-10-17-14(18-13)9-12-3-1-2-4-12/h10,12H,1-9,11H2,(H,16,20)(H,17,18)
InChIKeyZTIFLAWXAZLMRU-UHFFFAOYSA-N
XLogP1.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one (CID 74238956) is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one is O=C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CCN1.
What is the InChIKey of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one?
The InChIKey is ZTIFLAWXAZLMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15-5-7-19(8-6-16-15)11-13-10-17-14(18-13)9-12-3-1-2-4-12/h10,12H,1-9,11H2,(H,16,20)(H,17,18).
What are the key properties of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one?
1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one has a molecular weight of 276.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 74238956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).