2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide

C14H21IN4O — CID 86583903

IUPAC2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
SMILESI.OCCn1c(N2CCCNCC2)nc2ccccc21
InChIInChI=1S/C14H20N4O.HI/c19-11-10-18-13-5-2-1-4-12(13)16-14(18)17-8-3-6-15-7-9-17;/h1-2,4-5,15,19H,3,6-11H2;1H
InChIKeyWDTNQAVZRXNFBR-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.45
Rot. Bonds3

About 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide

2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide (PubChem CID 86583903) has the molecular formula C14H21IN4O and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide.

Molecular Properties

Compound Name2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
PubChem CID86583903
Molecular FormulaC14H21IN4O
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC Name2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
SMILESI.OCCn1c(N2CCCNCC2)nc2ccccc21
InChIInChI=1S/C14H20N4O.HI/c19-11-10-18-13-5-2-1-4-12(13)16-14(18)17-8-3-6-15-7-9-17;/h1-2,4-5,15,19H,3,6-11H2;1H
InChIKeyWDTNQAVZRXNFBR-UHFFFAOYSA-N
XLogP1.45
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
CID 83417374
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
1-[2-(cyclopropylmethoxy)ethyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 18464495
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole
CID 19957526
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
CID 72881394
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974750
2-[2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanol
CID 50981831
2-(1,4-diazepan-1-yl)-1-[2-(dimethylamino)ethyl]benzimidazole-4-carboxamide
CID 18428154
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide?
The IUPAC name of 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide (CID 86583903) is 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide.
What is the SMILES notation for 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide?
The canonical SMILES for 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide is I.OCCn1c(N2CCCNCC2)nc2ccccc21.
What is the InChIKey of 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide?
The InChIKey is WDTNQAVZRXNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.HI/c19-11-10-18-13-5-2-1-4-12(13)16-14(18)17-8-3-6-15-7-9-17;/h1-2,4-5,15,19H,3,6-11H2;1H.
What are the key properties of 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide?
2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide is sourced from PubChem (CID 86583903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).