1-but-3-en-2-yl-2-ethylbenzimidazole

C13H16N2 — CID 116622499

IUPAC1-but-3-en-2-yl-2-ethylbenzimidazole
SMILESC=CC(C)n1c(CC)nc2ccccc21
InChIInChI=1S/C13H16N2/c1-4-10(3)15-12-9-7-6-8-11(12)14-13(15)5-2/h4,6-10H,1,5H2,2-3H3
InChIKeyGQGTYDXGABSKEI-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.35
Rot. Bonds3

About 1-but-3-en-2-yl-2-ethylbenzimidazole

1-but-3-en-2-yl-2-ethylbenzimidazole (PubChem CID 116622499) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-but-3-en-2-yl-2-ethylbenzimidazole
PubChem CID116622499
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-but-3-en-2-yl-2-ethylbenzimidazole
SMILESC=CC(C)n1c(CC)nc2ccccc21
InChIInChI=1S/C13H16N2/c1-4-10(3)15-12-9-7-6-8-11(12)14-13(15)5-2/h4,6-10H,1,5H2,2-3H3
InChIKeyGQGTYDXGABSKEI-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-but-3-en-2-ylbenzimidazol-2-yl)acetonitrile
CID 63637927
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 63105068
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
methyl 3-(2-ethylbenzimidazol-1-yl)butanoate
CID 63106169
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
1-(5-chlorothiophen-2-yl)-1-(2-ethylbenzimidazol-1-yl)propan-2-amine
CID 63105616
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2-ethylbenzimidazole?
The IUPAC name of 1-but-3-en-2-yl-2-ethylbenzimidazole (CID 116622499) is 1-but-3-en-2-yl-2-ethylbenzimidazole.
What is the SMILES notation for 1-but-3-en-2-yl-2-ethylbenzimidazole?
The canonical SMILES for 1-but-3-en-2-yl-2-ethylbenzimidazole is C=CC(C)n1c(CC)nc2ccccc21.
What is the InChIKey of 1-but-3-en-2-yl-2-ethylbenzimidazole?
The InChIKey is GQGTYDXGABSKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-10(3)15-12-9-7-6-8-11(12)14-13(15)5-2/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-2-ethylbenzimidazole?
1-but-3-en-2-yl-2-ethylbenzimidazole has a molecular weight of 200.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2-ethylbenzimidazole is sourced from PubChem (CID 116622499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).