methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate

C24H22N2O3 — CID 22663242

IUPACmethyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]c(C(Cc3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C24H22N2O3/c1-28-20-14-13-18(24(27)29-2)21-22(20)26-23(25-21)19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-14,19H,15H2,1-2H3,(H,25,26)
InChIKeySIEWBNBYXYJWEY-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.73
Rot. Bonds6

About methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate

methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate (PubChem CID 22663242) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate
PubChem CID22663242
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1ccc(OC)c2[nH]c(C(Cc3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C24H22N2O3/c1-28-20-14-13-18(24(27)29-2)21-22(20)26-23(25-21)19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-14,19H,15H2,1-2H3,(H,25,26)
InChIKeySIEWBNBYXYJWEY-UHFFFAOYSA-N
XLogP4.73
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxylate
CID 22663368
7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid
CID 22663191
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
CID 139836002
7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid
CID 22663413
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
CID 22663333
2-[cyclohexyl(phenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylic acid;hydrochloride
CID 67638650
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
2-[7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazol-4-yl]-5-phenylmethoxyindene-1,3-dione
CID 67627878
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate (CID 22663242) is methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate is COC(=O)c1ccc(OC)c2[nH]c(C(Cc3ccccc3)c3ccccc3)nc12.
What is the InChIKey of methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate?
The InChIKey is SIEWBNBYXYJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-20-14-13-18(24(27)29-2)21-22(20)26-23(25-21)19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-14,19H,15H2,1-2H3,(H,25,26).
What are the key properties of methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate?
methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 22663242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).