4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol

C13H19N3O — CID 83960714

IUPAC4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
SMILESOCCCCNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c17-10-4-3-8-14-9-7-13-15-11-5-1-2-6-12(11)16-13/h1-2,5-6,14,17H,3-4,7-10H2,(H,15,16)
InChIKeyZWYSPNZBYVIYAD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.47
Rot. Bonds7

About 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol

4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol (PubChem CID 83960714) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
PubChem CID83960714
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
SMILESOCCCCNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c17-10-4-3-8-14-9-7-13-15-11-5-1-2-6-12(11)16-13/h1-2,5-6,14,17H,3-4,7-10H2,(H,15,16)
InChIKeyZWYSPNZBYVIYAD-UHFFFAOYSA-N
XLogP1.47
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol
CID 167970288
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol (CID 83960714) is 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol is OCCCCNCCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol?
The InChIKey is ZWYSPNZBYVIYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-10-4-3-8-14-9-7-13-15-11-5-1-2-6-12(11)16-13/h1-2,5-6,14,17H,3-4,7-10H2,(H,15,16).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol?
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 83960714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).