1-(benzimidazol-1-yl)pent-4-en-2-amine

C12H15N3 — CID 105107781

IUPAC1-(benzimidazol-1-yl)pent-4-en-2-amine
SMILESC=CCC(N)Cn1cnc2ccccc21
InChIInChI=1S/C12H15N3/c1-2-5-10(13)8-15-9-14-11-6-3-4-7-12(11)15/h2-4,6-7,9-10H,1,5,8,13H2
InChIKeyONRUUWJQUWDNFD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds4

About 1-(benzimidazol-1-yl)pent-4-en-2-amine

1-(benzimidazol-1-yl)pent-4-en-2-amine (PubChem CID 105107781) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)pent-4-en-2-amine
PubChem CID105107781
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(benzimidazol-1-yl)pent-4-en-2-amine
SMILESC=CCC(N)Cn1cnc2ccccc21
InChIInChI=1S/C12H15N3/c1-2-5-10(13)8-15-9-14-11-6-3-4-7-12(11)15/h2-4,6-7,9-10H,1,5,8,13H2
InChIKeyONRUUWJQUWDNFD-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzimidazol-1-yl)non-8-en-2-amine
CID 107011933
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
CID 105176644
1-(benzimidazol-1-yl)hept-5-yn-2-amine
CID 105181339
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107290
1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105159359
1-(benzimidazol-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-amine
CID 105158489
1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168831
1-(benzimidazol-1-yl)-3-methylbut-3-en-2-ol
CID 105110467
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)pent-4-en-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)pent-4-en-2-amine (CID 105107781) is 1-(benzimidazol-1-yl)pent-4-en-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)pent-4-en-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)pent-4-en-2-amine is C=CCC(N)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)pent-4-en-2-amine?
The InChIKey is ONRUUWJQUWDNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-5-10(13)8-15-9-14-11-6-3-4-7-12(11)15/h2-4,6-7,9-10H,1,5,8,13H2.
What are the key properties of 1-(benzimidazol-1-yl)pent-4-en-2-amine?
1-(benzimidazol-1-yl)pent-4-en-2-amine has a molecular weight of 201.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)pent-4-en-2-amine is sourced from PubChem (CID 105107781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).