3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol

C12H17N3O2 — CID 178081091

IUPAC3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol
SMILESOCCCOCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O2/c16-7-3-8-17-9-6-13-12-14-10-4-1-2-5-11(10)15-12/h1-2,4-5,16H,3,6-9H2,(H2,13,14,15)
InChIKeyAKLKJSUWSOCCDE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.37
Rot. Bonds7

About 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol

3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol (PubChem CID 178081091) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol
PubChem CID178081091
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol
SMILESOCCCOCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O2/c16-7-3-8-17-9-6-13-12-14-10-4-1-2-5-11(10)15-12/h1-2,4-5,16H,3,6-9H2,(H2,13,14,15)
InChIKeyAKLKJSUWSOCCDE-UHFFFAOYSA-N
XLogP1.37
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
CID 55023552
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1H-benzimidazol-2-amine
CID 133410971
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol?
The IUPAC name of 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol (CID 178081091) is 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol is OCCCOCCNc1nc2ccccc2[nH]1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol?
The InChIKey is AKLKJSUWSOCCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-7-3-8-17-9-6-13-12-14-10-4-1-2-5-11(10)15-12/h1-2,4-5,16H,3,6-9H2,(H2,13,14,15).
What are the key properties of 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol?
3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol is sourced from PubChem (CID 178081091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).