2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide

C16H19ClN4O2 — CID 57382526

IUPAC2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyMBAHGUNQNAJTLD-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide

2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide (PubChem CID 57382526) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
PubChem CID57382526
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyMBAHGUNQNAJTLD-UHFFFAOYSA-N
XLogP2.98
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide 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 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide (CID 57382526) is 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide is CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is MBAHGUNQNAJTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22).
What are the key properties of 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide?
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 334.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 57382526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).