1,3-bis(prop-1-enyl)-2H-imidazole

C9H14N2 — CID 57189158

IUPAC1,3-bis(prop-1-enyl)-2H-imidazole
SMILESCC=CN1C=CN(C=CC)C1
InChIInChI=1S/C9H14N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3-8H,9H2,1-2H3
InChIKeyDHILNKYEAMVYIX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.10
Rot. Bonds2

About 1,3-bis(prop-1-enyl)-2H-imidazole

1,3-bis(prop-1-enyl)-2H-imidazole (PubChem CID 57189158) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,3-bis(prop-1-enyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(prop-1-enyl)-2H-imidazole
PubChem CID57189158
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,3-bis(prop-1-enyl)-2H-imidazole
SMILESCC=CN1C=CN(C=CC)C1
InChIInChI=1S/C9H14N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3-8H,9H2,1-2H3
InChIKeyDHILNKYEAMVYIX-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dimethylpyrimidine
CID 19432557
1-N,1-N,1-N',1-N'-tetramethylbuta-1,3-diene-1,1-diamine
CID 14992949
1-Allyl-3-methyl imidazole
CID 19927377
1-Allyl-3-butyl imidazole
CID 23154601
1-Allyl-3-vinylimidazole
CID 23154610
1-ethyl-3-prop-2-enyl-2H-imidazole
CID 23154613
1-prop-2-enyl-3-propyl-2H-imidazole
CID 23154622
1-Vinyl-3-propyl imidazole
CID 123609156
2-fluoro-1-methyl-3-prop-2-enyl-2H-imidazole
CID 175194676
(E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine
CID 12662339
2-[(1,3-Dimethylimidazol-2-ylidene)methylidene]-1,3-dimethylimidazole
CID 101958775
CID 139242688
CID 139242688

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-enyl)-2H-imidazole?
The IUPAC name of 1,3-bis(prop-1-enyl)-2H-imidazole (CID 57189158) is 1,3-bis(prop-1-enyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(prop-1-enyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(prop-1-enyl)-2H-imidazole is CC=CN1C=CN(C=CC)C1.
What is the InChIKey of 1,3-bis(prop-1-enyl)-2H-imidazole?
The InChIKey is DHILNKYEAMVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-10-7-8-11(9-10)6-4-2/h3-8H,9H2,1-2H3.
What are the key properties of 1,3-bis(prop-1-enyl)-2H-imidazole?
1,3-bis(prop-1-enyl)-2H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-enyl)-2H-imidazole is sourced from PubChem (CID 57189158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).