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

C12H16Cl2N4 — CID 90664724

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride
SMILESCc1cccc2c1ncn2CC1=NCCN1.Cl.Cl
InChIInChI=1S/C12H14N4.2ClH/c1-9-3-2-4-10-12(9)15-8-16(10)7-11-13-5-6-14-11;;/h2-4,8H,5-7H2,1H3,(H,13,14);2*1H
InChIKeyIOENWBJQUKTAKU-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.19
Rot. Bonds2

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

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride (PubChem CID 90664724) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride
PubChem CID90664724
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride
SMILESCc1cccc2c1ncn2CC1=NCCN1.Cl.Cl
InChIInChI=1S/C12H14N4.2ClH/c1-9-3-2-4-10-12(9)15-8-16(10)7-11-13-5-6-14-11;;/h2-4,8H,5-7H2,1H3,(H,13,14);2*1H
InChIKeyIOENWBJQUKTAKU-UHFFFAOYSA-N
XLogP2.19
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.19
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)-4-methylbenzimidazole;dihydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride (CID 90664724) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride is Cc1cccc2c1ncn2CC1=NCCN1.Cl.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride?
The InChIKey is IOENWBJQUKTAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.2ClH/c1-9-3-2-4-10-12(9)15-8-16(10)7-11-13-5-6-14-11;;/h2-4,8H,5-7H2,1H3,(H,13,14);2*1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylbenzimidazole;dihydrochloride has a molecular weight of 287.19 g/mol, XLogP of 2.19, 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)-4-methylbenzimidazole;dihydrochloride is sourced from PubChem (CID 90664724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).