4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one

C14H24N4O — CID 138032845

IUPAC4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
SMILESCC(C)CC1C(=O)NCCCN1Cc1cn(C)cn1
InChIInChI=1S/C14H24N4O/c1-11(2)7-13-14(19)15-5-4-6-18(13)9-12-8-17(3)10-16-12/h8,10-11,13H,4-7,9H2,1-3H3,(H,15,19)
InChIKeyJPCVHIUXLKDWJC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.16
Rot. Bonds4

About 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one

4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one (PubChem CID 138032845) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
PubChem CID138032845
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
SMILESCC(C)CC1C(=O)NCCCN1Cc1cn(C)cn1
InChIInChI=1S/C14H24N4O/c1-11(2)7-13-14(19)15-5-4-6-18(13)9-12-8-17(3)10-16-12/h8,10-11,13H,4-7,9H2,1-3H3,(H,15,19)
InChIKeyJPCVHIUXLKDWJC-UHFFFAOYSA-N
XLogP1.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(1-methylimidazole-4-carbonyl)-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 164635145
4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 126780324
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522
(3S)-3-ethyl-4-[(5-methylpyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 146139687
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
CID 99929898
3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120849320
4-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 67226198
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 64783841
4-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 128506393
N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 155990618
4-[[[2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carbonyl]amino]methyl]benzoic acid
CID 122020079
bis(4-[(2S)-2-amino-3-phenylpropanoyl]-3-(2-methylpropyl)-1,4-diazepan-2-one);hydrate
CID 70477417

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one?
The IUPAC name of 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one (CID 138032845) is 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one is CC(C)CC1C(=O)NCCCN1Cc1cn(C)cn1.
What is the InChIKey of 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one?
The InChIKey is JPCVHIUXLKDWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)7-13-14(19)15-5-4-6-18(13)9-12-8-17(3)10-16-12/h8,10-11,13H,4-7,9H2,1-3H3,(H,15,19).
What are the key properties of 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one?
4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-4-yl)methyl]-3-(2-methylpropyl)-1,4-diazepan-2-one is sourced from PubChem (CID 138032845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).