N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C13H18ClN3 — CID 24878837

IUPACN-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.c1cc2c(cc1NC1=NCCN1)CCCC2
InChIInChI=1S/C13H17N3.ClH/c1-2-4-11-9-12(6-5-10(11)3-1)16-13-14-7-8-15-13;/h5-6,9H,1-4,7-8H2,(H2,14,15,16);1H
InChIKeySHOKYNWYQLSJLE-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.36
Rot. Bonds1

About N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 24878837) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID24878837
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.c1cc2c(cc1NC1=NCCN1)CCCC2
InChIInChI=1S/C13H17N3.ClH/c1-2-4-11-9-12(6-5-10(11)3-1)16-13-14-7-8-15-13;/h5-6,9H,1-4,7-8H2,(H2,14,15,16);1H
InChIKeySHOKYNWYQLSJLE-UHFFFAOYSA-N
XLogP2.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 24878837) is N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.c1cc2c(cc1NC1=NCCN1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is SHOKYNWYQLSJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-2-4-11-9-12(6-5-10(11)3-1)16-13-14-7-8-15-13;/h5-6,9H,1-4,7-8H2,(H2,14,15,16);1H.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 24878837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).