7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid

C19H20N2O4 — CID 22663191

IUPAC7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOCCC(c1ccccc1)c1nc2c(C(=O)O)ccc(OC)c2[nH]1
InChIInChI=1S/C19H20N2O4/c1-24-11-10-13(12-6-4-3-5-7-12)18-20-16-14(19(22)23)8-9-15(25-2)17(16)21-18/h3-9,13H,10-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFZURIQGUUDTGSS-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.44
Rot. Bonds7

About 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid

7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 22663191) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID22663191
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOCCC(c1ccccc1)c1nc2c(C(=O)O)ccc(OC)c2[nH]1
InChIInChI=1S/C19H20N2O4/c1-24-11-10-13(12-6-4-3-5-7-12)18-20-16-14(19(22)23)8-9-15(25-2)17(16)21-18/h3-9,13H,10-11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFZURIQGUUDTGSS-UHFFFAOYSA-N
XLogP3.44
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid
CID 22663413
methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663242
2-[cyclohexyl(phenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylic acid;hydrochloride
CID 67638650
2-(2H-benzotriazol-4-ylmethyl)-7-methoxy-1H-benzimidazole-4-carboxylic acid
CID 67073794
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
CID 139836002
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
4-methoxy-2-(2-methoxyethyl)-1,3-benzoxazole-7-carboxylic acid
CID 70126365
methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
CID 22663333
1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
CID 116751519
1-methoxypropane;phthalic acid
CID 174535712
2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid
CID 67629226
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid (CID 22663191) is 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid is COCCC(c1ccccc1)c1nc2c(C(=O)O)ccc(OC)c2[nH]1.
What is the InChIKey of 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FZURIQGUUDTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-11-10-13(12-6-4-3-5-7-12)18-20-16-14(19(22)23)8-9-15(25-2)17(16)21-18/h3-9,13H,10-11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid?
7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 22663191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).