2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide

C14H13N5O3 — CID 118985960

IUPAC2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1
InChIInChI=1S/C14H13N5O3/c20-11(19-14-15-5-6-16-14)7-10-13(22)17-9-4-2-1-3-8(9)12(21)18-10/h1-6,10H,7H2,(H,17,22)(H,18,21)(H2,15,16,19,20)
InChIKeyHEZHFAKMTBXEQL-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.49
Rot. Bonds3

About 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide

2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide (PubChem CID 118985960) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide
PubChem CID118985960
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1
InChIInChI=1S/C14H13N5O3/c20-11(19-14-15-5-6-16-14)7-10-13(22)17-9-4-2-1-3-8(9)12(21)18-10/h1-6,10H,7H2,(H,17,22)(H,18,21)(H2,15,16,19,20)
InChIKeyHEZHFAKMTBXEQL-UHFFFAOYSA-N
XLogP0.49
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide (CID 118985960) is 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide is O=C(CC1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1.
What is the InChIKey of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is HEZHFAKMTBXEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-11(19-14-15-5-6-16-14)7-10-13(22)17-9-4-2-1-3-8(9)12(21)18-10/h1-6,10H,7H2,(H,17,22)(H,18,21)(H2,15,16,19,20).
What are the key properties of 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide?
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 299.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 118985960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).