2-(1H-benzimidazol-2-ylmethylamino)acetic acid

C10H11N3O2 — CID 1081236

IUPAC2-(1H-benzimidazol-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O2/c14-10(15)6-11-5-9-12-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2,(H,12,13)(H,14,15)
InChIKeyDYPZFGFREUPJQA-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.74
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylmethylamino)acetic acid

2-(1H-benzimidazol-2-ylmethylamino)acetic acid (PubChem CID 1081236) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylamino)acetic acid
PubChem CID1081236
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(1H-benzimidazol-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O2/c14-10(15)6-11-5-9-12-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2,(H,12,13)(H,14,15)
InChIKeyDYPZFGFREUPJQA-UHFFFAOYSA-N
XLogP0.74
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylamino)acetic acid?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylamino)acetic acid (CID 1081236) is 2-(1H-benzimidazol-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylamino)acetic acid is O=C(O)CNCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylamino)acetic acid?
The InChIKey is DYPZFGFREUPJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10(15)6-11-5-9-12-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylamino)acetic acid?
2-(1H-benzimidazol-2-ylmethylamino)acetic acid has a molecular weight of 205.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylamino)acetic acid is sourced from PubChem (CID 1081236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).