3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one

C17H29N3O — CID 129095325

IUPAC3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one
SMILESCC1=C(C)N(C(C)C)CC1CC(C)n1c(C)c(C)[nH]c1=O
InChIInChI=1S/C17H29N3O/c1-10(2)19-9-16(12(4)14(19)6)8-11(3)20-15(7)13(5)18-17(20)21/h10-11,16H,8-9H2,1-7H3,(H,18,21)
InChIKeyBASGWMRXIAAPIR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.38
Rot. Bonds4

About 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one

3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one (PubChem CID 129095325) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one
PubChem CID129095325
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one
SMILESCC1=C(C)N(C(C)C)CC1CC(C)n1c(C)c(C)[nH]c1=O
InChIInChI=1S/C17H29N3O/c1-10(2)19-9-16(12(4)14(19)6)8-11(3)20-15(7)13(5)18-17(20)21/h10-11,16H,8-9H2,1-7H3,(H,18,21)
InChIKeyBASGWMRXIAAPIR-UHFFFAOYSA-N
XLogP3.38
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((2,3-Dimethylcyclopent-2-en-1-yl)methyl)-1H-imidazol-2(3H)-one
CID 21986125
4,5-ditert-butyl-N-propan-2-yl-2,3-dihydropyrrole-1-carboxamide
CID 139306003
3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
CID 144531427
4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one
CID 155116176
ethane;2-methylpropane;molecular hydrogen;3,4,5,6,7-penta(propan-2-yl)-1H-1,3-diazepin-2-one
CID 157734574
3,4,5,6,7-penta(propan-2-yl)-1H-1,3-diazepin-2-one
CID 157734575
ethane;2-methylpropane;3,4,5,6,7-penta(propan-2-yl)-1H-1,3-diazepin-2-one
CID 159690810
ethane;3,4,5,6,7-penta(propan-2-yl)-1H-1,3-diazepin-2-one
CID 161498385
3-tert-butyl-4,5,6,7-tetra(propan-2-yl)-6,7-dihydro-1H-1,3-diazepin-2-one
CID 166753029
ethane;methane;2-methylpropane;3,4,5,6,7-penta(propan-2-yl)-1H-1,3-diazepin-2-one
CID 167561440
6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
CID 117273670
3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one
CID 144531428

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one (CID 129095325) is 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one is CC1=C(C)N(C(C)C)CC1CC(C)n1c(C)c(C)[nH]c1=O.
What is the InChIKey of 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one?
The InChIKey is BASGWMRXIAAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-10(2)19-9-16(12(4)14(19)6)8-11(3)20-15(7)13(5)18-17(20)21/h10-11,16H,8-9H2,1-7H3,(H,18,21).
What are the key properties of 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one?
3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one has a molecular weight of 291.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 129095325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).