methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate

C15H17N3O2 — CID 114718971

IUPACmethyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C15H17N3O2/c1-10(15(19)20-2)18-9-16-8-13(18)12-5-3-4-11-6-7-17-14(11)12/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyKGAVRGAGTVEVHV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.25
Rot. Bonds3

About methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate

methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate (PubChem CID 114718971) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate
PubChem CID114718971
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1cncc1-c1cccc2c1NCC2
InChIInChI=1S/C15H17N3O2/c1-10(15(19)20-2)18-9-16-8-13(18)12-5-3-4-11-6-7-17-14(11)12/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyKGAVRGAGTVEVHV-UHFFFAOYSA-N
XLogP2.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114721013
7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114720858
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-methylpropanamide
CID 114719194
8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 114716664
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
CID 114715972
7-(3-cyclobutylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114720083
7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114716253
7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114717398
8-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722090
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate?
The IUPAC name of methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate (CID 114718971) is methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate?
The canonical SMILES for methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate is COC(=O)C(C)n1cncc1-c1cccc2c1NCC2.
What is the InChIKey of methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate?
The InChIKey is KGAVRGAGTVEVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(15(19)20-2)18-9-16-8-13(18)12-5-3-4-11-6-7-17-14(11)12/h3-5,8-10,17H,6-7H2,1-2H3.
What are the key properties of methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate?
methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate has a molecular weight of 271.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate is sourced from PubChem (CID 114718971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).