1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride

C10H12ClN5 — CID 57391909

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride
SMILESCl.c1ccc2c(c1)nnn2CC1=NCCN1
InChIInChI=1S/C10H11N5.ClH/c1-2-4-9-8(3-1)13-14-15(9)7-10-11-5-6-12-10;/h1-4H,5-7H2,(H,11,12);1H
InChIKeyIUYPNGLDPSKGOB-UHFFFAOYSA-N
MW237.69 g/mol
LogP0.85
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride (PubChem CID 57391909) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride
PubChem CID57391909
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride
SMILESCl.c1ccc2c(c1)nnn2CC1=NCCN1
InChIInChI=1S/C10H11N5.ClH/c1-2-4-9-8(3-1)13-14-15(9)7-10-11-5-6-12-10;/h1-4H,5-7H2,(H,11,12);1H
InChIKeyIUYPNGLDPSKGOB-UHFFFAOYSA-N
XLogP0.85
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methylbenzotriazole
CID 25902
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-Ethylbenzotriazole
CID 27939
1-Propargyl-1H-benzotriazole
CID 727001
1-(Chloromethyl)-1H-benzotriazole
CID 3328222
1-(Pyrrolidin-1-ylmethyl)benzotriazole
CID 29502
3-methyl-1-(5,5,5-trichloropentyl)-3H-1,2,3-benzotriazol-1-ium
CID 15998887
1-[(Phenylamino)methyl]benzotriazole
CID 569724
1-octyl-1H-benzotriazole
CID 3678166
1-Pentabenzotriazole
CID 3708772
1-Butyl-1H-benzotriazole
CID 4401906

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride (CID 57391909) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride is Cl.c1ccc2c(c1)nnn2CC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride?
The InChIKey is IUYPNGLDPSKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.ClH/c1-2-4-9-8(3-1)13-14-15(9)7-10-11-5-6-12-10;/h1-4H,5-7H2,(H,11,12);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzotriazole;hydrochloride is sourced from PubChem (CID 57391909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).