5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride

C10H10ClN5 — CID 19995935

IUPAC5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride
SMILESCl.c1cn(Cc2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C10H9N5.ClH/c1-2-9-10(13-14-12-9)5-8(1)6-15-4-3-11-7-15;/h1-5,7H,6H2,(H,12,13,14);1H
InChIKeyHTXPCBRMLTXTNE-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.62
Rot. Bonds2

About 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride

5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride (PubChem CID 19995935) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride
PubChem CID19995935
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride
SMILESCl.c1cn(Cc2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C10H9N5.ClH/c1-2-9-10(13-14-12-9)5-8(1)6-15-4-3-11-7-15;/h1-5,7H,6H2,(H,12,13,14);1H
InChIKeyHTXPCBRMLTXTNE-UHFFFAOYSA-N
XLogP1.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(imidazol-1-ylmethyl)quinoline
CID 174964420
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CID 14990938
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
bis(7-(imidazol-1-ylmethyl)-1,3-dimethylquinoxalin-2-one);hydrate
CID 67791407
2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
CID 171617121
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 72910079

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride?
The IUPAC name of 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride (CID 19995935) is 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride is Cl.c1cn(Cc2ccc3n[nH]nc3c2)cn1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride?
The InChIKey is HTXPCBRMLTXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5.ClH/c1-2-9-10(13-14-12-9)5-8(1)6-15-4-3-11-7-15;/h1-5,7H,6H2,(H,12,13,14);1H.
What are the key properties of 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride?
5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride has a molecular weight of 235.68 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride is sourced from PubChem (CID 19995935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).