2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide

C11H19ClN4O — CID 113406905

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ncc(Cl)n1C
InChIInChI=1S/C11H19ClN4O/c1-7(2)15-11(17)8(3)13-6-10-14-5-9(12)16(10)4/h5,7-8,13H,6H2,1-4H3,(H,15,17)
InChIKeyUIMIVHPCPYKBCA-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.08
Rot. Bonds5

About 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide

2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 113406905) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide
PubChem CID113406905
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ncc(Cl)n1C
InChIInChI=1S/C11H19ClN4O/c1-7(2)15-11(17)8(3)13-6-10-14-5-9(12)16(10)4/h5,7-8,13H,6H2,1-4H3,(H,15,17)
InChIKeyUIMIVHPCPYKBCA-UHFFFAOYSA-N
XLogP1.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide (CID 113406905) is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1ncc(Cl)n1C.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is UIMIVHPCPYKBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-7(2)15-11(17)8(3)13-6-10-14-5-9(12)16(10)4/h5,7-8,13H,6H2,1-4H3,(H,15,17).
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 258.75 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).