N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

C19H25N5O3 — CID 3737847

IUPACN-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCn1ccnc1CN1CCCN(C(=O)C(O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-22-11-8-20-16(22)14-23-9-5-10-24(13-12-23)19(27)18(26)21-17(25)15-6-3-2-4-7-15/h2-4,6-8,11,18,26H,5,9-10,12-14H2,1H3,(H,21,25)
InChIKeyKEKWFLHYAMIPCY-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.20
Rot. Bonds5

About N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (PubChem CID 3737847) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
PubChem CID3737847
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCn1ccnc1CN1CCCN(C(=O)C(O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-22-11-8-20-16(22)14-23-9-5-10-24(13-12-23)19(27)18(26)21-17(25)15-6-3-2-4-7-15/h2-4,6-8,11,18,26H,5,9-10,12-14H2,1H3,(H,21,25)
InChIKeyKEKWFLHYAMIPCY-UHFFFAOYSA-N
XLogP0.20
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide 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

N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3710390
methyl 5-[[4-(2-benzamido-2-hydroxyacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3868570
(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 121450338
1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95337939
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 86285845
ethyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]benzoate
CID 3854553
(3-ethoxythiophen-2-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 3737844

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (CID 3737847) is N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is Cn1ccnc1CN1CCCN(C(=O)C(O)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The InChIKey is KEKWFLHYAMIPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-22-11-8-20-16(22)14-23-9-5-10-24(13-12-23)19(27)18(26)21-17(25)15-6-3-2-4-7-15/h2-4,6-8,11,18,26H,5,9-10,12-14H2,1H3,(H,21,25).
What are the key properties of N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3737847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).