1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole

C28H26N2O — CID 3116462

IUPAC1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole
SMILESCOc1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C28H26N2O/c1-31-25-18-16-24(17-19-25)28-29(20-22-10-4-2-5-11-22)26-14-8-9-15-27(26)30(28)21-23-12-6-3-7-13-23/h2-19,28H,20-21H2,1H3
InChIKeyORDHMIUMZDRBOG-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.42
Rot. Bonds6

About 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole

1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole (PubChem CID 3116462) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole
PubChem CID3116462
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole
SMILESCOc1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1
InChIInChI=1S/C28H26N2O/c1-31-25-18-16-24(17-19-25)28-29(20-22-10-4-2-5-11-22)26-14-8-9-15-27(26)30(28)21-23-12-6-3-7-13-23/h2-19,28H,20-21H2,1H3
InChIKeyORDHMIUMZDRBOG-UHFFFAOYSA-N
XLogP6.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol
CID 703809
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
Benzimidazolone scaffold, 8g
CID 42618259
ethyl 3-(4-methoxybenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
CID 1484101
1H-Benzimidazole, 2,3-dihydro-2-(4-methoxyphenyl)-1,3-dimethyl-
CID 759319
1-(1-(4-methoxybenzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 9927776
2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
CID 678644
2-(4-ethoxyphenyl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
CID 679624
1-butyl-3-[2-(4-methylphenoxy)ethyl]-1,3-dihydro-2H-benzimidazol-2-imine hydrobromide
CID 2914982
1-[2-(4-Ethylphenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
CID 90670826
1-(1-(1-(4-methoxyphenyl)ethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 145963850
1-(1-(1-(4-ethoxyphenyl)ethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 145973938

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole?
The IUPAC name of 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole (CID 3116462) is 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole.
What is the SMILES notation for 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole?
The canonical SMILES for 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole is COc1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1.
What is the InChIKey of 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole?
The InChIKey is ORDHMIUMZDRBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-31-25-18-16-24(17-19-25)28-29(20-22-10-4-2-5-11-22)26-14-8-9-15-27(26)30(28)21-23-12-6-3-7-13-23/h2-19,28H,20-21H2,1H3.
What are the key properties of 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole?
1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole has a molecular weight of 406.53 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-(4-methoxyphenyl)-2H-benzimidazole is sourced from PubChem (CID 3116462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).