1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine

C14H17N3 — CID 105077571

IUPAC1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
SMILESC#CCC(Cn1cnc2ccccc21)NCC
InChIInChI=1S/C14H17N3/c1-3-7-12(15-4-2)10-17-11-16-13-8-5-6-9-14(13)17/h1,5-6,8-9,11-12,15H,4,7,10H2,2H3
InChIKeyDPNBMMARSBBARJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.04
Rot. Bonds5

About 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine

1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine (PubChem CID 105077571) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
PubChem CID105077571
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
SMILESC#CCC(Cn1cnc2ccccc21)NCC
InChIInChI=1S/C14H17N3/c1-3-7-12(15-4-2)10-17-11-16-13-8-5-6-9-14(13)17/h1,5-6,8-9,11-12,15H,4,7,10H2,2H3
InChIKeyDPNBMMARSBBARJ-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
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1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031480
1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 105180009
1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
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2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 105173484
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
CID 105164987
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 105152945
[1-(benzimidazol-1-yl)-3-ethylpentan-2-yl]hydrazine
CID 105323983

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine (CID 105077571) is 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine is C#CCC(Cn1cnc2ccccc21)NCC.
What is the InChIKey of 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine?
The InChIKey is DPNBMMARSBBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-7-12(15-4-2)10-17-11-16-13-8-5-6-9-14(13)17/h1,5-6,8-9,11-12,15H,4,7,10H2,2H3.
What are the key properties of 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine?
1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine is sourced from PubChem (CID 105077571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).