(1-benzylimidazol-2-yl)methanamine;dihydrochloride

C11H15Cl2N3 — CID 13478012

IUPAC(1-benzylimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nccn1Cc1ccccc1
InChIInChI=1S/C11H13N3.2ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;;/h1-7H,8-9,12H2;2*1H
InChIKeyHZAPGFYEVGMALR-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.23
Rot. Bonds3

About (1-benzylimidazol-2-yl)methanamine;dihydrochloride

(1-benzylimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 13478012) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)methanamine;dihydrochloride
PubChem CID13478012
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name(1-benzylimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nccn1Cc1ccccc1
InChIInChI=1S/C11H13N3.2ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;;/h1-7H,8-9,12H2;2*1H
InChIKeyHZAPGFYEVGMALR-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
1-benzyl-2-chloroimidazole
CID 11629752
1-benzyl-2-octylimidazole
CID 70491727
1-benzyl-2-methylimidazole
CID 158634472

Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (1-benzylimidazol-2-yl)methanamine;dihydrochloride (CID 13478012) is (1-benzylimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-benzylimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-benzylimidazol-2-yl)methanamine;dihydrochloride is Cl.Cl.NCc1nccn1Cc1ccccc1.
What is the InChIKey of (1-benzylimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is HZAPGFYEVGMALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;;/h1-7H,8-9,12H2;2*1H.
What are the key properties of (1-benzylimidazol-2-yl)methanamine;dihydrochloride?
(1-benzylimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 260.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 13478012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).