2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide

C11H19N5O — CID 64530362

IUPAC2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCc1ncc[nH]1
InChIInChI=1S/C11H19N5O/c17-11(15-8-10-13-3-4-14-10)9-16-6-1-2-12-5-7-16/h3-4,12H,1-2,5-9H2,(H,13,14)(H,15,17)
InChIKeyJBMGBWUYVASMCM-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.68
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide

2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 64530362) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID64530362
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCc1ncc[nH]1
InChIInChI=1S/C11H19N5O/c17-11(15-8-10-13-3-4-14-10)9-16-6-1-2-12-5-7-16/h3-4,12H,1-2,5-9H2,(H,13,14)(H,15,17)
InChIKeyJBMGBWUYVASMCM-UHFFFAOYSA-N
XLogP-0.68
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)-2-oxoacetamide
CID 64526128
N-(1H-imidazol-2-yl)-2-piperazin-1-ylacetamide
CID 63563737
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
2-(1,4-diazepan-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 55121255
2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide
CID 106896052
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62837229
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 62838697
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide (CID 64530362) is 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide is O=C(CN1CCCNCC1)NCc1ncc[nH]1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is JBMGBWUYVASMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c17-11(15-8-10-13-3-4-14-10)9-16-6-1-2-12-5-7-16/h3-4,12H,1-2,5-9H2,(H,13,14)(H,15,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 237.31 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 64530362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).