4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one

C17H28N4O — CID 56865566

IUPAC4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(Cc2nccn2C)CCC(=O)N1CC1CC1
InChIInChI=1S/C17H28N4O/c1-13(2)15-11-20(12-16-18-7-9-19(16)3)8-6-17(22)21(15)10-14-4-5-14/h7,9,13-15H,4-6,8,10-12H2,1-3H3
InChIKeyVNAVCHZRRIYLNJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.89
Rot. Bonds5

About 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 56865566) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID56865566
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(Cc2nccn2C)CCC(=O)N1CC1CC1
InChIInChI=1S/C17H28N4O/c1-13(2)15-11-20(12-16-18-7-9-19(16)3)8-6-17(22)21(15)10-14-4-5-14/h7,9,13-15H,4-6,8,10-12H2,1-3H3
InChIKeyVNAVCHZRRIYLNJ-UHFFFAOYSA-N
XLogP1.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
1-(Azepan-1-yl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53557751
2-[Cyclopropyl(methyl)amino]-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53609225
3-Methoxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53613725
3,3-Dicyclopropyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53622851
[1-Oxo-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-2-yl]urea
CID 56778643
3-Methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-1-ylbutan-1-one
CID 56802160
4-(cyclopropylmethyl)-3-isopropyl-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-one
CID 56867908
1-(cyclopropylmethyl)-4-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-isopropyl-1,4-diazepane
CID 56870229
4-(cyclopropylmethyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-isopropyl-1,4-diazepan-5-one
CID 56873299
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one (CID 56865566) is 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one is CC(C)C1CN(Cc2nccn2C)CCC(=O)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is VNAVCHZRRIYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)15-11-20(12-16-18-7-9-19(16)3)8-6-17(22)21(15)10-14-4-5-14/h7,9,13-15H,4-6,8,10-12H2,1-3H3.
What are the key properties of 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 304.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56865566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).