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

C16H17N3O — CID 2772581

IUPAC2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H17N3O/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)
InChIKeyTYPADTZAGSHYOF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.49
Rot. Bonds5

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

2-[(1-benzylbenzimidazol-2-yl)amino]ethanol (PubChem CID 2772581) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
PubChem CID2772581
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H17N3O/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)
InChIKeyTYPADTZAGSHYOF-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
CID 71895290
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142202
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol
CID 4787112
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 51110492
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol (CID 2772581) is 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol is OCCNc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol?
The InChIKey is TYPADTZAGSHYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/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).
What are the key properties of 2-[(1-benzylbenzimidazol-2-yl)amino]ethanol?
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.49, 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 is sourced from PubChem (CID 2772581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).