2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole

C13H17N3O — CID 14064743

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole
SMILESCOc1cccc2c1N(C)C(C1=NCCN1)C2
InChIInChI=1S/C13H17N3O/c1-16-10(13-14-6-7-15-13)8-9-4-3-5-11(17-2)12(9)16/h3-5,10H,6-8H2,1-2H3,(H,14,15)
InChIKeyYCZOLGJMZWVPSO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.06
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole

2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole (PubChem CID 14064743) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole
PubChem CID14064743
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole
SMILESCOc1cccc2c1N(C)C(C1=NCCN1)C2
InChIInChI=1S/C13H17N3O/c1-16-10(13-14-6-7-15-13)8-9-4-3-5-11(17-2)12(9)16/h3-5,10H,6-8H2,1-2H3,(H,14,15)
InChIKeyYCZOLGJMZWVPSO-UHFFFAOYSA-N
XLogP1.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-Dihydro-1H-imidazol-2-yl)-4,5-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 10933317
10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
CID 11042529
7-Methoxy-2,3-dihydro-1H-indole
CID 14849554
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole
CID 14064738
2,3,4,4a,9,9a-Hexahydro-8-methoxy-1H-carbazole
CID 12814605
4-Methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
CID 22338210
(4R,10aR)-4-methyl-6-(trifluoromethoxy)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
CID 69414645
7-methoxy-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 84036973
2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84657886
2-(1-fluoroethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84666134
2-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84668697
2-(2-fluoropropan-2-yl)-7-methoxy-2,3-dihydro-1H-indole
CID 84676963

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole (CID 14064743) is 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole is COc1cccc2c1N(C)C(C1=NCCN1)C2.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole?
The InChIKey is YCZOLGJMZWVPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-10(13-14-6-7-15-13)8-9-4-3-5-11(17-2)12(9)16/h3-5,10H,6-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole has a molecular weight of 231.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 14064743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).