(2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

C22H27N3O2 — CID 134597128

IUPAC(2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESNCCc1nc2ccccc2n1C[C@@H](O)CO[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H27N3O2/c23-13-12-22-24-19-9-3-4-10-20(19)25(22)14-17(26)15-27-21-11-5-7-16-6-1-2-8-18(16)21/h1-4,6,8-10,17,21,26H,5,7,11-15,23H2/t17-,21+/m1/s1
InChIKeyWUFHRJKUMJZWKA-UTKZUKDTSA-N
MW365.48 g/mol
LogP2.99
Rot. Bonds7

About (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

(2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (PubChem CID 134597128) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
PubChem CID134597128
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESNCCc1nc2ccccc2n1C[C@@H](O)CO[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H27N3O2/c23-13-12-22-24-19-9-3-4-10-20(19)25(22)14-17(26)15-27-21-11-5-7-16-6-1-2-8-18(16)21/h1-4,6,8-10,17,21,26H,5,7,11-15,23H2/t17-,21+/m1/s1
InChIKeyWUFHRJKUMJZWKA-UTKZUKDTSA-N
XLogP2.99
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The IUPAC name of (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (CID 134597128) is (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is NCCc1nc2ccccc2n1C[C@@H](O)CO[C@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The InChIKey is WUFHRJKUMJZWKA-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-13-12-22-24-19-9-3-4-10-20(19)25(22)14-17(26)15-27-21-11-5-7-16-6-1-2-8-18(16)21/h1-4,6,8-10,17,21,26H,5,7,11-15,23H2/t17-,21+/m1/s1.
What are the key properties of (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
(2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol has a molecular weight of 365.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is sourced from PubChem (CID 134597128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).