1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride

C12H17Cl2N5 — CID 90664725

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride
SMILESCc1cc2nnn(CC3=NCCN3)c2cc1C.Cl.Cl
InChIInChI=1S/C12H15N5.2ClH/c1-8-5-10-11(6-9(8)2)17(16-15-10)7-12-13-3-4-14-12;;/h5-6H,3-4,7H2,1-2H3,(H,13,14);2*1H
InChIKeyRTPBYBYGOVBNSG-UHFFFAOYSA-N
MW302.21 g/mol
LogP1.89
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride (PubChem CID 90664725) has the molecular formula C12H17Cl2N5 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride
PubChem CID90664725
Molecular FormulaC12H17Cl2N5
Molecular Weight302.21 g/mol
Exact Mass301.09
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride
SMILESCc1cc2nnn(CC3=NCCN3)c2cc1C.Cl.Cl
InChIInChI=1S/C12H15N5.2ClH/c1-8-5-10-11(6-9(8)2)17(16-15-10)7-12-13-3-4-14-12;;/h5-6H,3-4,7H2,1-2H3,(H,13,14);2*1H
InChIKeyRTPBYBYGOVBNSG-UHFFFAOYSA-N
XLogP1.89
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride (CID 90664725) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride is Cc1cc2nnn(CC3=NCCN3)c2cc1C.Cl.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride?
The InChIKey is RTPBYBYGOVBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5.2ClH/c1-8-5-10-11(6-9(8)2)17(16-15-10)7-12-13-3-4-14-12;;/h5-6H,3-4,7H2,1-2H3,(H,13,14);2*1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride has a molecular weight of 302.21 g/mol, XLogP of 1.89, 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)-5,6-dimethylbenzotriazole;dihydrochloride is sourced from PubChem (CID 90664725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).