2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid

C21H21N3O4 — CID 119213222

IUPAC2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NC(C(=O)O)C1CC1
InChIInChI=1S/C21H21N3O4/c25-19(23-20(21(26)27)14-10-11-14)12-24-17-9-5-4-8-16(17)22-18(24)13-28-15-6-2-1-3-7-15/h1-9,14,20H,10-13H2,(H,23,25)(H,26,27)
InChIKeyFHHFENLCHVBXEY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.59
Rot. Bonds8

About 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid (PubChem CID 119213222) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
PubChem CID119213222
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NC(C(=O)O)C1CC1
InChIInChI=1S/C21H21N3O4/c25-19(23-20(21(26)27)14-10-11-14)12-24-17-9-5-4-8-16(17)22-18(24)13-28-15-6-2-1-3-7-15/h1-9,14,20H,10-13H2,(H,23,25)(H,26,27)
InChIKeyFHHFENLCHVBXEY-UHFFFAOYSA-N
XLogP2.59
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 25346259
N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119586379
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119573300
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid (CID 119213222) is 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid is O=C(Cn1c(COc2ccccc2)nc2ccccc21)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid?
The InChIKey is FHHFENLCHVBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-19(23-20(21(26)27)14-10-11-14)12-24-17-9-5-4-8-16(17)22-18(24)13-28-15-6-2-1-3-7-15/h1-9,14,20H,10-13H2,(H,23,25)(H,26,27).
What are the key properties of 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid has a molecular weight of 379.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 119213222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).