[(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid

C11H13N7O2 — CID 67833476

IUPAC[(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
SMILESO=C(O)N[C@@H](CN1CNc2ccccc21)c1nn[nH]n1
InChIInChI=1S/C11H13N7O2/c19-11(20)13-8(10-14-16-17-15-10)5-18-6-12-7-3-1-2-4-9(7)18/h1-4,8,12-13H,5-6H2,(H,19,20)(H,14,15,16,17)/t8-/m0/s1
InChIKeyRESAQDJEJVFFJL-QMMMGPOBSA-N
MW275.27 g/mol
LogP0.40
Rot. Bonds4

About [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid

[(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid (PubChem CID 67833476) has the molecular formula C11H13N7O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
PubChem CID67833476
Molecular FormulaC11H13N7O2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name[(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
SMILESO=C(O)N[C@@H](CN1CNc2ccccc21)c1nn[nH]n1
InChIInChI=1S/C11H13N7O2/c19-11(20)13-8(10-14-16-17-15-10)5-18-6-12-7-3-1-2-4-9(7)18/h1-4,8,12-13H,5-6H2,(H,19,20)(H,14,15,16,17)/t8-/m0/s1
InChIKeyRESAQDJEJVFFJL-QMMMGPOBSA-N
XLogP0.40
TPSA119.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The IUPAC name of [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid (CID 67833476) is [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid is O=C(O)N[C@@H](CN1CNc2ccccc21)c1nn[nH]n1.
What is the InChIKey of [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The InChIKey is RESAQDJEJVFFJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N7O2/c19-11(20)13-8(10-14-16-17-15-10)5-18-6-12-7-3-1-2-4-9(7)18/h1-4,8,12-13H,5-6H2,(H,19,20)(H,14,15,16,17)/t8-/m0/s1.
What are the key properties of [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid?
[(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid has a molecular weight of 275.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2,3-dihydrobenzimidazol-1-yl)-1-(2H-tetrazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 67833476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).