2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid

C18H17N3O3 — CID 67112516

IUPAC2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3N3CCOCC3)[nH]c2c1
InChIInChI=1S/C18H17N3O3/c22-18(23)12-5-6-14-15(11-12)20-17(19-14)13-3-1-2-4-16(13)21-7-9-24-10-8-21/h1-6,11H,7-10H2,(H,19,20)(H,22,23)
InChIKeyFCGYGCKXLXAYIO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid

2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 67112516) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID67112516
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3N3CCOCC3)[nH]c2c1
InChIInChI=1S/C18H17N3O3/c22-18(23)12-5-6-14-15(11-12)20-17(19-14)13-3-1-2-4-16(13)21-7-9-24-10-8-21/h1-6,11H,7-10H2,(H,19,20)(H,22,23)
InChIKeyFCGYGCKXLXAYIO-UHFFFAOYSA-N
XLogP2.76
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 162235197
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid (CID 67112516) is 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3N3CCOCC3)[nH]c2c1.
What is the InChIKey of 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is FCGYGCKXLXAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(23)12-5-6-14-15(11-12)20-17(19-14)13-3-1-2-4-16(13)21-7-9-24-10-8-21/h1-6,11H,7-10H2,(H,19,20)(H,22,23).
What are the key properties of 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid?
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 67112516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).