6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole

C21H20N6 — CID 138482837

IUPAC6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(Cc3nc4ccc(Cc5ncc[nH]5)cc4[nH]3)cc2n1C
InChIInChI=1S/C21H20N6/c1-13-24-17-6-4-15(10-19(17)27(13)2)12-21-25-16-5-3-14(9-18(16)26-21)11-20-22-7-8-23-20/h3-10H,11-12H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyWCCQXNDXRKJKNT-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.66
Rot. Bonds4

About 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole

6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole (PubChem CID 138482837) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole
PubChem CID138482837
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(Cc3nc4ccc(Cc5ncc[nH]5)cc4[nH]3)cc2n1C
InChIInChI=1S/C21H20N6/c1-13-24-17-6-4-15(10-19(17)27(13)2)12-21-25-16-5-3-14(9-18(16)26-21)11-20-22-7-8-23-20/h3-10H,11-12H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyWCCQXNDXRKJKNT-UHFFFAOYSA-N
XLogP3.66
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole?
The IUPAC name of 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole (CID 138482837) is 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole.
What is the SMILES notation for 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole?
The canonical SMILES for 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole is Cc1nc2ccc(Cc3nc4ccc(Cc5ncc[nH]5)cc4[nH]3)cc2n1C.
What is the InChIKey of 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole?
The InChIKey is WCCQXNDXRKJKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-13-24-17-6-4-15(10-19(17)27(13)2)12-21-25-16-5-3-14(9-18(16)26-21)11-20-22-7-8-23-20/h3-10H,11-12H2,1-2H3,(H,22,23)(H,25,26).
What are the key properties of 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole?
6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole has a molecular weight of 356.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1H-imidazol-2-ylmethyl)-1H-benzimidazol-2-yl]methyl]-1,2-dimethylbenzimidazole is sourced from PubChem (CID 138482837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).