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

C13H18Cl2N4 — CID 90664843

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride
SMILESCc1cc2ncn(CC3=NCCN3)c2cc1C.Cl.Cl
InChIInChI=1S/C13H16N4.2ClH/c1-9-5-11-12(6-10(9)2)17(8-16-11)7-13-14-3-4-15-13;;/h5-6,8H,3-4,7H2,1-2H3,(H,14,15);2*1H
InChIKeyNJHONFYAURKHCV-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.50
Rot. Bonds2

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

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride (PubChem CID 90664843) has the molecular formula C13H18Cl2N4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride
PubChem CID90664843
Molecular FormulaC13H18Cl2N4
Molecular Weight301.22 g/mol
Exact Mass300.09
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride
SMILESCc1cc2ncn(CC3=NCCN3)c2cc1C.Cl.Cl
InChIInChI=1S/C13H16N4.2ClH/c1-9-5-11-12(6-10(9)2)17(8-16-11)7-13-14-3-4-15-13;;/h5-6,8H,3-4,7H2,1-2H3,(H,14,15);2*1H
InChIKeyNJHONFYAURKHCV-UHFFFAOYSA-N
XLogP2.50
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride (CID 90664843) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride is Cc1cc2ncn(CC3=NCCN3)c2cc1C.Cl.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride?
The InChIKey is NJHONFYAURKHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.2ClH/c1-9-5-11-12(6-10(9)2)17(8-16-11)7-13-14-3-4-15-13;;/h5-6,8H,3-4,7H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride has a molecular weight of 301.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride is sourced from PubChem (CID 90664843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).