2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol

C19H17ClN4O2 — CID 51110492

IUPAC2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H17ClN4O2/c20-14-7-5-13(6-8-14)17-11-22-18(26-17)12-24-16-4-2-1-3-15(16)23-19(24)21-9-10-25/h1-8,11,25H,9-10,12H2,(H,21,23)
InChIKeyLPGWTNGOZOKVGW-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.80
Rot. Bonds6

About 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol

2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 51110492) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
PubChem CID51110492
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H17ClN4O2/c20-14-7-5-13(6-8-14)17-11-22-18(26-17)12-24-16-4-2-1-3-15(16)23-19(24)21-9-10-25/h1-8,11,25H,9-10,12H2,(H,21,23)
InChIKeyLPGWTNGOZOKVGW-UHFFFAOYSA-N
XLogP3.80
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 17466994
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
CID 110879877
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527
2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
CID 166184268
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 78881116
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol (CID 51110492) is 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol is OCCNc1nc2ccccc2n1Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is LPGWTNGOZOKVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-7-5-13(6-8-14)17-11-22-18(26-17)12-24-16-4-2-1-3-15(16)23-19(24)21-9-10-25/h1-8,11,25H,9-10,12H2,(H,21,23).
What are the key properties of 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 368.82 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 51110492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).