2-[(1-pentylbenzimidazol-2-yl)amino]ethanol

C14H21N3O — CID 4697809

IUPAC2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
SMILESCCCCCn1c(NCCO)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-2-3-6-10-17-13-8-5-4-7-12(13)16-14(17)15-9-11-18/h4-5,7-8,18H,2-3,6,9-11H2,1H3,(H,15,16)
InChIKeyRMTXWBIZKYGYEU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds7

About 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol

2-[(1-pentylbenzimidazol-2-yl)amino]ethanol (PubChem CID 4697809) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
PubChem CID4697809
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
SMILESCCCCCn1c(NCCO)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-2-3-6-10-17-13-8-5-4-7-12(13)16-14(17)15-9-11-18/h4-5,7-8,18H,2-3,6,9-11H2,1H3,(H,15,16)
InChIKeyRMTXWBIZKYGYEU-UHFFFAOYSA-N
XLogP2.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
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

3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
4-chloro-2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 4592910
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol (CID 4697809) is 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol is CCCCCn1c(NCCO)nc2ccccc21.
What is the InChIKey of 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol?
The InChIKey is RMTXWBIZKYGYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-6-10-17-13-8-5-4-7-12(13)16-14(17)15-9-11-18/h4-5,7-8,18H,2-3,6,9-11H2,1H3,(H,15,16).
What are the key properties of 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol?
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol has a molecular weight of 247.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pentylbenzimidazol-2-yl)amino]ethanol is sourced from PubChem (CID 4697809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).