2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole

C14H17N3 — CID 13473021

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole
SMILESC=CCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C14H17N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,13H,1,7-10H2,(H,15,16)
InChIKeyHONDEXWPXYFMFB-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.61
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole

2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole (PubChem CID 13473021) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole
PubChem CID13473021
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole
SMILESC=CCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C14H17N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,13H,1,7-10H2,(H,15,16)
InChIKeyHONDEXWPXYFMFB-UHFFFAOYSA-N
XLogP1.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 173393107
5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 67733933
2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole
CID 90703789
2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol
CID 175037520
1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
CID 19881180
2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
CID 70073995
3,3-dimethyl-1-prop-2-enyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 79907716
5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6,11-dihydrobenzo[c][1]benzazepine;hydrochloride
CID 156596545
10-prop-2-enyl-5H-phenazine
CID 67375827
2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 134149322
1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,10,13-pentaen-15-one
CID 68562714
ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 91000724

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole (CID 13473021) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole is C=CCN1c2ccccc2CC1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole?
The InChIKey is HONDEXWPXYFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,13H,1,7-10H2,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole has a molecular weight of 227.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole is sourced from PubChem (CID 13473021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).