(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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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).