3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole

C14H22N2 — CID 71018206

IUPAC3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCCC/C=C\CN1C(C)=NC2C=CCCC21
InChIInChI=1S/C14H22N2/c1-3-4-5-8-11-16-12(2)15-13-9-6-7-10-14(13)16/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3/b8-5-
InChIKeyQJJFYKXMQUJYIL-YVMONPNESA-N
MW218.34 g/mol
LogP3.16
Rot. Bonds4

About 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole

3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole (PubChem CID 71018206) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
PubChem CID71018206
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCCC/C=C\CN1C(C)=NC2C=CCCC21
InChIInChI=1S/C14H22N2/c1-3-4-5-8-11-16-12(2)15-13-9-6-7-10-14(13)16/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3/b8-5-
InChIKeyQJJFYKXMQUJYIL-YVMONPNESA-N
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.16
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-(Nonadeca-4,7,10,13-tetraenyl)-N-methylimidazoline
CID 5369160
5-Methyl-8-propyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10487568
5-Methyl-8-prop-2-enyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10797372
1-cyclohexyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56607994
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2-Ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 59197950
2-Heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole
CID 69115158
1-Cyclohexa-2,4-dien-1-yl-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 70856815
2-(Cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole
CID 70856844
2-(Cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018190
(7aS)-1-(cyclohexen-1-yl)-2-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 71018207
1-(Cyclohexen-1-yl)-2-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 71018208

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The IUPAC name of 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole (CID 71018206) is 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The canonical SMILES for 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole is CCC/C=C\CN1C(C)=NC2C=CCCC21.
What is the InChIKey of 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The InChIKey is QJJFYKXMQUJYIL-YVMONPNESA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-5-8-11-16-12(2)15-13-9-6-7-10-14(13)16/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3/b8-5-.
What are the key properties of 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole has a molecular weight of 218.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 71018206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).