2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol

C17H17N3O2 — CID 168554407

IUPAC2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
SMILESOc1cc(N2CCOCC2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2/c21-16-11-12(20-7-9-22-10-8-20)5-6-13(16)17-18-14-3-1-2-4-15(14)19-17/h1-6,11,21H,7-10H2,(H,18,19)
InChIKeyGYKWJBCDUUYADI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.77
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol

2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol (PubChem CID 168554407) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
PubChem CID168554407
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
SMILESOc1cc(N2CCOCC2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2/c21-16-11-12(20-7-9-22-10-8-20)5-6-13(16)17-18-14-3-1-2-4-15(14)19-17/h1-6,11,21H,7-10H2,(H,18,19)
InChIKeyGYKWJBCDUUYADI-UHFFFAOYSA-N
XLogP2.77
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 59568070
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 67112516
2-chloro-5-morpholin-4-ylphenol
CID 84679971
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-4-one;ethane
CID 143816258
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 162189422
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol (CID 168554407) is 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol is Oc1cc(N2CCOCC2)ccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol?
The InChIKey is GYKWJBCDUUYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-11-12(20-7-9-22-10-8-20)5-6-13(16)17-18-14-3-1-2-4-15(14)19-17/h1-6,11,21H,7-10H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol?
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol has a molecular weight of 295.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol is sourced from PubChem (CID 168554407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).