2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol

C13H19N3O — CID 115216317

IUPAC2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
SMILESCc1nc2cc(CCNCCO)ccc2n1C
InChIInChI=1S/C13H19N3O/c1-10-15-12-9-11(5-6-14-7-8-17)3-4-13(12)16(10)2/h3-4,9,14,17H,5-8H2,1-2H3
InChIKeyCIKCLQNMTDEGAR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.01
Rot. Bonds5

About 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol

2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol (PubChem CID 115216317) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
PubChem CID115216317
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
SMILESCc1nc2cc(CCNCCO)ccc2n1C
InChIInChI=1S/C13H19N3O/c1-10-15-12-9-11(5-6-14-7-8-17)3-4-13(12)16(10)2/h3-4,9,14,17H,5-8H2,1-2H3
InChIKeyCIKCLQNMTDEGAR-UHFFFAOYSA-N
XLogP1.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.01
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-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
CID 95419153
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propane-1-thiol
CID 115225159
N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine
CID 115201448
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
CID 115133588
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
CID 96675259
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338
3-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-1-ol
CID 115216675

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol (CID 115216317) is 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol is Cc1nc2cc(CCNCCO)ccc2n1C.
What is the InChIKey of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol?
The InChIKey is CIKCLQNMTDEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-15-12-9-11(5-6-14-7-8-17)3-4-13(12)16(10)2/h3-4,9,14,17H,5-8H2,1-2H3.
What are the key properties of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol?
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 115216317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).