2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole

C22H22N4 — CID 70411840

IUPAC2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole
SMILESCC1(C)CCc2ccccc2C1n1cncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N4/c1-22(2)12-11-15-7-3-4-8-16(15)20(22)26-14-23-13-19(26)21-24-17-9-5-6-10-18(17)25-21/h3-10,13-14,20H,11-12H2,1-2H3,(H,24,25)
InChIKeyIKMVSKRFPIMUSM-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.99
Rot. Bonds2

About 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole

2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole (PubChem CID 70411840) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole
PubChem CID70411840
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole
SMILESCC1(C)CCc2ccccc2C1n1cncc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N4/c1-22(2)12-11-15-7-3-4-8-16(15)20(22)26-14-23-13-19(26)21-24-17-9-5-6-10-18(17)25-21/h3-10,13-14,20H,11-12H2,1-2H3,(H,24,25)
InChIKeyIKMVSKRFPIMUSM-UHFFFAOYSA-N
XLogP4.99
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole (CID 70411840) is 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole is CC1(C)CCc2ccccc2C1n1cncc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole?
The InChIKey is IKMVSKRFPIMUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-22(2)12-11-15-7-3-4-8-16(15)20(22)26-14-23-13-19(26)21-24-17-9-5-6-10-18(17)25-21/h3-10,13-14,20H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole?
2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole has a molecular weight of 342.45 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)imidazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 70411840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).