1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole

C17H16N4O — CID 50878272

IUPAC1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4O/c1-22-11-17-20-14-8-4-5-9-15(14)21(17)10-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyBJDXQENYXLUSSE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.11
Rot. Bonds4

About 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole

1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole (PubChem CID 50878272) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole
PubChem CID50878272
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4O/c1-22-11-17-20-14-8-4-5-9-15(14)21(17)10-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyBJDXQENYXLUSSE-UHFFFAOYSA-N
XLogP3.11
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
CID 139019671
[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl 1-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]piperidine-3-carboxylate
CID 10168432
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
benzyl 2-[4-[2-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl-methylamino]acetyl]phenoxy]acetate
CID 54135925
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
1-(1H-benzimidazol-2-ylmethyl)-2-[3-[1-[[2-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-3H-benzimidazol-5-yl]methyl]piperidin-4-yl]butyl]benzimidazole
CID 142185577
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-benzimidazole
CID 66737942

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole (CID 50878272) is 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole is COCc1nc2ccccc2n1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole?
The InChIKey is BJDXQENYXLUSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-11-17-20-14-8-4-5-9-15(14)21(17)10-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole?
1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole has a molecular weight of 292.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole is sourced from PubChem (CID 50878272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).