2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine

C13H14N4 — CID 68722822

IUPAC2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC(=CC1=NCCN1)Cc1cc2cccnc2[nH]1
InChIInChI=1S/C13H14N4/c1(5-12-14-7-8-15-12)4-11-9-10-3-2-6-16-13(10)17-11/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)
InChIKeyJKGASPWCPZLSHR-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.66
Rot. Bonds3

About 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine

2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 68722822) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID68722822
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC(=CC1=NCCN1)Cc1cc2cccnc2[nH]1
InChIInChI=1S/C13H14N4/c1(5-12-14-7-8-15-12)4-11-9-10-3-2-6-16-13(10)17-11/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)
InChIKeyJKGASPWCPZLSHR-UHFFFAOYSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine (CID 68722822) is 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine is C(=CC1=NCCN1)Cc1cc2cccnc2[nH]1.
What is the InChIKey of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JKGASPWCPZLSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1(5-12-14-7-8-15-12)4-11-9-10-3-2-6-16-13(10)17-11/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 226.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)prop-2-enyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68722822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).