1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide

C15H23N5O3 — CID 173085334

IUPAC1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCC(=O)N1CCCN(C(=O)C(C)(C)n2ccnc2C(N)=O)CC1
InChIInChI=1S/C15H23N5O3/c1-11(21)18-6-4-7-19(10-9-18)14(23)15(2,3)20-8-5-17-13(20)12(16)22/h5,8H,4,6-7,9-10H2,1-3H3,(H2,16,22)
InChIKeyLMHATRJKGJCHTC-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.20
Rot. Bonds3

About 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide

1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide (PubChem CID 173085334) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
PubChem CID173085334
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCC(=O)N1CCCN(C(=O)C(C)(C)n2ccnc2C(N)=O)CC1
InChIInChI=1S/C15H23N5O3/c1-11(21)18-6-4-7-19(10-9-18)14(23)15(2,3)20-8-5-17-13(20)12(16)22/h5,8H,4,6-7,9-10H2,1-3H3,(H2,16,22)
InChIKeyLMHATRJKGJCHTC-UHFFFAOYSA-N
XLogP-0.20
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The IUPAC name of 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide (CID 173085334) is 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide is CC(=O)N1CCCN(C(=O)C(C)(C)n2ccnc2C(N)=O)CC1.
What is the InChIKey of 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The InChIKey is LMHATRJKGJCHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-11(21)18-6-4-7-19(10-9-18)14(23)15(2,3)20-8-5-17-13(20)12(16)22/h5,8H,4,6-7,9-10H2,1-3H3,(H2,16,22).
What are the key properties of 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide is sourced from PubChem (CID 173085334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).