(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid

C15H13N3O2 — CID 66513444

IUPAC(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c16-14(15(19)20)10-5-7-11(8-6-10)18-9-17-12-3-1-2-4-13(12)18/h1-9,14H,16H2,(H,19,20)/t14-/m0/s1
InChIKeyMNDRMWWSWZSWBX-AWEZNQCLSA-N
MW267.29 g/mol
LogP2.11
Rot. Bonds3

About (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid

(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid (PubChem CID 66513444) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
PubChem CID66513444
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c16-14(15(19)20)10-5-7-11(8-6-10)18-9-17-12-3-1-2-4-13(12)18/h1-9,14H,16H2,(H,19,20)/t14-/m0/s1
InChIKeyMNDRMWWSWZSWBX-AWEZNQCLSA-N
XLogP2.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119834362
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
CID 155109069
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
[(2R)-1-amino-1-oxopropan-2-yl] 4-(benzimidazol-1-yl)benzoate
CID 40681031
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
CID 42263428
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid (CID 66513444) is (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid is N[C@H](C(=O)O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid?
The InChIKey is MNDRMWWSWZSWBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-14(15(19)20)10-5-7-11(8-6-10)18-9-17-12-3-1-2-4-13(12)18/h1-9,14H,16H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid?
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 66513444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).