2-[(E)-hex-3-enyl]-1H-benzimidazole

C13H16N2 — CID 96559916

IUPAC2-[(E)-hex-3-enyl]-1H-benzimidazole
SMILESCC/C=C/CCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H16N2/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h3-4,6-9H,2,5,10H2,1H3,(H,14,15)/b4-3+
InChIKeyVSYMKECPVWOGPM-ONEGZZNKSA-N
MW200.28 g/mol
LogP3.46
Rot. Bonds4

About 2-[(E)-hex-3-enyl]-1H-benzimidazole

2-[(E)-hex-3-enyl]-1H-benzimidazole (PubChem CID 96559916) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(E)-hex-3-enyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(E)-hex-3-enyl]-1H-benzimidazole
PubChem CID96559916
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-[(E)-hex-3-enyl]-1H-benzimidazole
SMILESCC/C=C/CCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H16N2/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h3-4,6-9H,2,5,10H2,1H3,(H,14,15)/b4-3+
InChIKeyVSYMKECPVWOGPM-ONEGZZNKSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-docosyl-1H-benzimidazole
CID 141189761
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
CID 87640795
CID 87640795
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
(Z,8R)-1-(1H-benzimidazol-2-yl)heptadec-11-en-8-ol
CID 42604379
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-3-enyl]-1H-benzimidazole?
The IUPAC name of 2-[(E)-hex-3-enyl]-1H-benzimidazole (CID 96559916) is 2-[(E)-hex-3-enyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(E)-hex-3-enyl]-1H-benzimidazole?
The canonical SMILES for 2-[(E)-hex-3-enyl]-1H-benzimidazole is CC/C=C/CCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(E)-hex-3-enyl]-1H-benzimidazole?
The InChIKey is VSYMKECPVWOGPM-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h3-4,6-9H,2,5,10H2,1H3,(H,14,15)/b4-3+.
What are the key properties of 2-[(E)-hex-3-enyl]-1H-benzimidazole?
2-[(E)-hex-3-enyl]-1H-benzimidazole has a molecular weight of 200.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-enyl]-1H-benzimidazole is sourced from PubChem (CID 96559916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).