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

C14H21N3O — CID 106840769

IUPAC4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
SMILESCC(NCCCCO)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O/c1-11(15-9-5-6-10-18)14-16-12-7-3-4-8-13(12)17(14)2/h3-4,7-8,11,15,18H,5-6,9-10H2,1-2H3
InChIKeyGFCCAPPAINVGKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.00
Rot. Bonds6

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

4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol (PubChem CID 106840769) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
PubChem CID106840769
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
SMILESCC(NCCCCO)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O/c1-11(15-9-5-6-10-18)14-16-12-7-3-4-8-13(12)17(14)2/h3-4,7-8,11,15,18H,5-6,9-10H2,1-2H3
InChIKeyGFCCAPPAINVGKA-UHFFFAOYSA-N
XLogP2.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115898723
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
CID 103910844
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
CID 110931079
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol (CID 106840769) is 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol is CC(NCCCCO)c1nc2ccccc2n1C.
What is the InChIKey of 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol?
The InChIKey is GFCCAPPAINVGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15-9-5-6-10-18)14-16-12-7-3-4-8-13(12)17(14)2/h3-4,7-8,11,15,18H,5-6,9-10H2,1-2H3.
What are the key properties of 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol?
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 106840769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).