7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione

C16H17N3O2 — CID 66153029

IUPAC7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
SMILESCCCn1cncc1CN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C16H17N3O2/c1-3-7-18-10-17-8-12(18)9-19-14-11(2)5-4-6-13(14)15(20)16(19)21/h4-6,8,10H,3,7,9H2,1-2H3
InChIKeyREVZJZHPBLJUQO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.33
Rot. Bonds4

About 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione

7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione (PubChem CID 66153029) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
PubChem CID66153029
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
SMILESCCCn1cncc1CN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C16H17N3O2/c1-3-7-18-10-17-8-12(18)9-19-14-11(2)5-4-6-13(14)15(20)16(19)21/h4-6,8,10H,3,7,9H2,1-2H3
InChIKeyREVZJZHPBLJUQO-UHFFFAOYSA-N
XLogP2.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
CID 66152463
6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
CID 66141121
1-[(3-ethylimidazol-4-yl)methyl]-4,7-difluoroindole-2,3-dione
CID 83206571
1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
CID 61387891
7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
CID 61147506
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
7-methyl-1-(2-oxobutyl)indole-2,3-dione
CID 62039974
1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 61146711
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
CID 61146245
3-[(7-methyl-2,3-dioxoindol-1-yl)methyl]benzonitrile
CID 61146244
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione (CID 66153029) is 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione is CCCn1cncc1CN1C(=O)C(=O)c2cccc(C)c21.
What is the InChIKey of 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is REVZJZHPBLJUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-7-18-10-17-8-12(18)9-19-14-11(2)5-4-6-13(14)15(20)16(19)21/h4-6,8,10H,3,7,9H2,1-2H3.
What are the key properties of 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 283.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 66153029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).