N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C10H14ClN3 — CID 118722127

IUPACN-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H13N3.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H2,11,12,13);1H
InChIKeyRACKHQPWGCCURG-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.16
Rot. Bonds2

About N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 118722127) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID118722127
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC NameN-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H13N3.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H2,11,12,13);1H
InChIKeyRACKHQPWGCCURG-UHFFFAOYSA-N
XLogP1.16
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 118722127) is N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.c1ccc(CNC2=NCCN2)cc1.
What is the InChIKey of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is RACKHQPWGCCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.ClH/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H2,11,12,13);1H.
What are the key properties of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 211.70 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 118722127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).