2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid

C19H17N3O5 — CID 157462705

IUPAC2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(Cc2nc3ccc(OCCO)cc3o2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C19H17N3O5/c1-22-15-5-2-11(19(24)25)8-14(15)20-17(22)10-18-21-13-4-3-12(26-7-6-23)9-16(13)27-18/h2-5,8-9,23H,6-7,10H2,1H3,(H,24,25)
InChIKeyWETNRCBMOPBLBB-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.37
Rot. Bonds6

About 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid

2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 157462705) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid
PubChem CID157462705
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(Cc2nc3ccc(OCCO)cc3o2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C19H17N3O5/c1-22-15-5-2-11(19(24)25)8-14(15)20-17(22)10-18-21-13-4-3-12(26-7-6-23)9-16(13)27-18/h2-5,8-9,23H,6-7,10H2,1H3,(H,24,25)
InChIKeyWETNRCBMOPBLBB-UHFFFAOYSA-N
XLogP2.37
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83970975
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
2-[(4-tert-butylphenoxy)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 24966893
1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63891340
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazole-5-carboxylic acid
CID 83970968
2-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83949597
2-(methylsulfonylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358037
2-[(2-methylpropan-2-yl)oxymethyl]-1,3-benzoxazole-6-carboxylic acid
CID 112605925
2-(3-phenoxypropyl)-1,3-benzoxazole-5-carboxylic acid
CID 83970969
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
2-(2-methylsulfanylethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357823

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid (CID 157462705) is 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid is Cn1c(Cc2nc3ccc(OCCO)cc3o2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is WETNRCBMOPBLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-22-15-5-2-11(19(24)25)8-14(15)20-17(22)10-18-21-13-4-3-12(26-7-6-23)9-16(13)27-18/h2-5,8-9,23H,6-7,10H2,1H3,(H,24,25).
What are the key properties of 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid?
2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 367.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-hydroxyethoxy)-1,3-benzoxazol-2-yl]methyl]-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 157462705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).