(2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol

C11H17N3O — CID 71132878

IUPAC(2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)CN1CNc2ccccc21
InChIInChI=1S/C11H17N3O/c1-12-6-9(15)7-14-8-13-10-4-2-3-5-11(10)14/h2-5,9,12-13,15H,6-8H2,1H3/t9-/m1/s1
InChIKeyALYYYCKWZQRGMC-SECBINFHSA-N
MW207.28 g/mol
LogP0.46
Rot. Bonds4

About (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol

(2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol (PubChem CID 71132878) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol
PubChem CID71132878
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)CN1CNc2ccccc21
InChIInChI=1S/C11H17N3O/c1-12-6-9(15)7-14-8-13-10-4-2-3-5-11(10)14/h2-5,9,12-13,15H,6-8H2,1H3/t9-/m1/s1
InChIKeyALYYYCKWZQRGMC-SECBINFHSA-N
XLogP0.46
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol (CID 71132878) is (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol is CNC[C@@H](O)CN1CNc2ccccc21.
What is the InChIKey of (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol?
The InChIKey is ALYYYCKWZQRGMC-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-6-9(15)7-14-8-13-10-4-2-3-5-11(10)14/h2-5,9,12-13,15H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol?
(2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol has a molecular weight of 207.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 71132878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).