2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide

C11H20N4O — CID 62222354

IUPAC2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
SMILESCC(C)NCc1nccn1CC(C)C(N)=O
InChIInChI=1S/C11H20N4O/c1-8(2)14-6-10-13-4-5-15(10)7-9(3)11(12)16/h4-5,8-9,14H,6-7H2,1-3H3,(H2,12,16)
InChIKeyRWXWDMHQSIWKST-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.50
Rot. Bonds6

About 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide

2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide (PubChem CID 62222354) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
PubChem CID62222354
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
SMILESCC(C)NCc1nccn1CC(C)C(N)=O
InChIInChI=1S/C11H20N4O/c1-8(2)14-6-10-13-4-5-15(10)7-9(3)11(12)16/h4-5,8-9,14H,6-7H2,1-3H3,(H2,12,16)
InChIKeyRWXWDMHQSIWKST-UHFFFAOYSA-N
XLogP0.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
The IUPAC name of 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide (CID 62222354) is 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide.
What is the SMILES notation for 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
The canonical SMILES for 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide is CC(C)NCc1nccn1CC(C)C(N)=O.
What is the InChIKey of 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
The InChIKey is RWXWDMHQSIWKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)14-6-10-13-4-5-15(10)7-9(3)11(12)16/h4-5,8-9,14H,6-7H2,1-3H3,(H2,12,16).
What are the key properties of 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide?
2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide is sourced from PubChem (CID 62222354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).