5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one

C12H21N3O — CID 79985314

IUPAC5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one
SMILESCCC(CC)C1C(N)=NC(=O)N1CC1CC1
InChIInChI=1S/C12H21N3O/c1-3-9(4-2)10-11(13)14-12(16)15(10)7-8-5-6-8/h8-10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyBMPAXDOUBOJRSZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds5

About 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one

5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one (PubChem CID 79985314) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one
PubChem CID79985314
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one
SMILESCCC(CC)C1C(N)=NC(=O)N1CC1CC1
InChIInChI=1S/C12H21N3O/c1-3-9(4-2)10-11(13)14-12(16)15(10)7-8-5-6-8/h8-10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyBMPAXDOUBOJRSZ-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one (CID 79985314) is 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one is CCC(CC)C1C(N)=NC(=O)N1CC1CC1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one?
The InChIKey is BMPAXDOUBOJRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9(4-2)10-11(13)14-12(16)15(10)7-8-5-6-8/h8-10H,3-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one is sourced from PubChem (CID 79985314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).