N-benzylimidazol-1-amine;hydrochloride

C10H12ClN3 — CID 174446531

IUPACN-benzylimidazol-1-amine;hydrochloride
SMILESCl.c1ccc(CNn2ccnc2)cc1
InChIInChI=1S/C10H11N3.ClH/c1-2-4-10(5-3-1)8-12-13-7-6-11-9-13;/h1-7,9,12H,8H2;1H
InChIKeyRUIPNGVBWMPPSL-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.05
Rot. Bonds3

About N-benzylimidazol-1-amine;hydrochloride

N-benzylimidazol-1-amine;hydrochloride (PubChem CID 174446531) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is N-benzylimidazol-1-amine;hydrochloride.

Molecular Properties

Compound NameN-benzylimidazol-1-amine;hydrochloride
PubChem CID174446531
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC NameN-benzylimidazol-1-amine;hydrochloride
SMILESCl.c1ccc(CNn2ccnc2)cc1
InChIInChI=1S/C10H11N3.ClH/c1-2-4-10(5-3-1)8-12-13-7-6-11-9-13;/h1-7,9,12H,8H2;1H
InChIKeyRUIPNGVBWMPPSL-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylimidazol-1-amine;hydrochloride?
The IUPAC name of N-benzylimidazol-1-amine;hydrochloride (CID 174446531) is N-benzylimidazol-1-amine;hydrochloride.
What is the SMILES notation for N-benzylimidazol-1-amine;hydrochloride?
The canonical SMILES for N-benzylimidazol-1-amine;hydrochloride is Cl.c1ccc(CNn2ccnc2)cc1.
What is the InChIKey of N-benzylimidazol-1-amine;hydrochloride?
The InChIKey is RUIPNGVBWMPPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.ClH/c1-2-4-10(5-3-1)8-12-13-7-6-11-9-13;/h1-7,9,12H,8H2;1H.
What are the key properties of N-benzylimidazol-1-amine;hydrochloride?
N-benzylimidazol-1-amine;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylimidazol-1-amine;hydrochloride is sourced from PubChem (CID 174446531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).