5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

C14H18ClN3O — CID 106819343

IUPAC5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2CC(C)C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-8(2)7-18-12(13(16)17-14(18)19)10-5-4-9(3)11(15)6-10/h4-6,8,12H,7H2,1-3H3,(H2,16,17,19)
InChIKeyPVWITRAVHHXZCI-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.14
Rot. Bonds3

About 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 106819343) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID106819343
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2CC(C)C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-8(2)7-18-12(13(16)17-14(18)19)10-5-4-9(3)11(15)6-10/h4-6,8,12H,7H2,1-3H3,(H2,16,17,19)
InChIKeyPVWITRAVHHXZCI-UHFFFAOYSA-N
XLogP3.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79960510
5-amino-4-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961972
6-amino-7-(3-chloro-4-methylphenyl)-1-(2-methylpropyl)azepan-2-one
CID 106818668
5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79960297
5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79959429
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
CID 113254024
5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967975
5-amino-4-naphthalen-2-yl-3-propyl-4H-imidazol-2-one
CID 79961605
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-4-[3-(difluoromethyl)phenyl]-3-prop-2-enyl-4H-imidazol-2-one
CID 115530438
5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967427
(2S)-2-(3-chloro-4-methylphenyl)aziridine
CID 55263390

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (CID 106819343) is 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is Cc1ccc(C2C(N)=NC(=O)N2CC(C)C)cc1Cl.
What is the InChIKey of 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is PVWITRAVHHXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-8(2)7-18-12(13(16)17-14(18)19)10-5-4-9(3)11(15)6-10/h4-6,8,12H,7H2,1-3H3,(H2,16,17,19).
What are the key properties of 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 279.77 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 106819343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).