2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride

C16H18ClN3O — CID 3066875

IUPAC2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H17N3O.ClH/c20-11-10-17-16-18-14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13;/h1-9,20H,10-12H2,(H,17,18);1H
InChIKeyYEQDAXKLBPHREW-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.91
Rot. Bonds5

About 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride

2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride (PubChem CID 3066875) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride
PubChem CID3066875
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H17N3O.ClH/c20-11-10-17-16-18-14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13;/h1-9,20H,10-12H2,(H,17,18);1H
InChIKeyYEQDAXKLBPHREW-UHFFFAOYSA-N
XLogP2.91
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride (CID 3066875) is 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride is Cl.OCCNc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
The InChIKey is YEQDAXKLBPHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.ClH/c20-11-10-17-16-18-14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13;/h1-9,20H,10-12H2,(H,17,18);1H.
What are the key properties of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 3066875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).