(4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride

C17H20ClN3 — CID 127039480

IUPAC(4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=N[C@@H](Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H19N3.ClH/c18-17-19-16(11-14-7-3-1-4-8-14)13-20(17)12-15-9-5-2-6-10-15;/h1-10,16H,11-13H2,(H2,18,19);1H/t16-;/m0./s1
InChIKeySRBXFDZBSHKCRU-NTISSMGPSA-N
MW301.82 g/mol
LogP2.85
Rot. Bonds4

About (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride

(4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride (PubChem CID 127039480) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride
PubChem CID127039480
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name(4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=N[C@@H](Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H19N3.ClH/c18-17-19-16(11-14-7-3-1-4-8-14)13-20(17)12-15-9-5-2-6-10-15;/h1-10,16H,11-13H2,(H2,18,19);1H/t16-;/m0./s1
InChIKeySRBXFDZBSHKCRU-NTISSMGPSA-N
XLogP2.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The IUPAC name of (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride (CID 127039480) is (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride.
What is the SMILES notation for (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The canonical SMILES for (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride is Cl.NC1=N[C@@H](Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The InChIKey is SRBXFDZBSHKCRU-NTISSMGPSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c18-17-19-16(11-14-7-3-1-4-8-14)13-20(17)12-15-9-5-2-6-10-15;/h1-10,16H,11-13H2,(H2,18,19);1H/t16-;/m0./s1.
What are the key properties of (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride?
(4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride is sourced from PubChem (CID 127039480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).