2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid

C19H21N3O3 — CID 119913764

IUPAC2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
SMILESCOc1ccc(-n2c(CN(C)C(C)C(=O)O)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O3/c1-13(19(23)24)21(2)12-18-20-16-6-4-5-7-17(16)22(18)14-8-10-15(25-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,23,24)
InChIKeyIFHWJYOFZVETRK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.94
Rot. Bonds6

About 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid

2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid (PubChem CID 119913764) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
PubChem CID119913764
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
SMILESCOc1ccc(-n2c(CN(C)C(C)C(=O)O)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O3/c1-13(19(23)24)21(2)12-18-20-16-6-4-5-7-17(16)22(18)14-8-10-15(25-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,23,24)
InChIKeyIFHWJYOFZVETRK-UHFFFAOYSA-N
XLogP2.94
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119908334
N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 109388365
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
CID 18511858
1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
CID 55732984
N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511837
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 5220329

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid (CID 119913764) is 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid is COc1ccc(-n2c(CN(C)C(C)C(=O)O)nc3ccccc32)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid?
The InChIKey is IFHWJYOFZVETRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(19(23)24)21(2)12-18-20-16-6-4-5-7-17(16)22(18)14-8-10-15(25-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,23,24).
What are the key properties of 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid?
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid has a molecular weight of 339.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid is sourced from PubChem (CID 119913764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).