(4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one

C14H24N4O — CID 10683061

IUPAC(4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one
SMILESC[C@H]1N=C(CCCCNC2=NCCCC2)N(C)C1=O
InChIInChI=1S/C14H24N4O/c1-11-14(19)18(2)13(17-11)8-4-6-10-16-12-7-3-5-9-15-12/h11H,3-10H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyUSKMRKCJABWYGX-LLVKDONJSA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds5

About (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one

(4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one (PubChem CID 10683061) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one
PubChem CID10683061
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one
SMILESC[C@H]1N=C(CCCCNC2=NCCCC2)N(C)C1=O
InChIInChI=1S/C14H24N4O/c1-11-14(19)18(2)13(17-11)8-4-6-10-16-12-7-3-5-9-15-12/h11H,3-10H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyUSKMRKCJABWYGX-LLVKDONJSA-N
XLogP1.59
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one?
The IUPAC name of (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one (CID 10683061) is (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one.
What is the SMILES notation for (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one?
The canonical SMILES for (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one is C[C@H]1N=C(CCCCNC2=NCCCC2)N(C)C1=O.
What is the InChIKey of (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one?
The InChIKey is USKMRKCJABWYGX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-14(19)18(2)13(17-11)8-4-6-10-16-12-7-3-5-9-15-12/h11H,3-10H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one?
(4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one has a molecular weight of 264.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,4-dimethyl-2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)butyl]-4H-imidazol-5-one is sourced from PubChem (CID 10683061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).