methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate

C23H20N2O3 — CID 66899503

IUPACmethyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1c(OC)ccc2c1nc(-c1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-27-19-14-13-18-21(20(19)23(26)28-2)24-22(17-11-7-4-8-12-17)25(18)15-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3
InChIKeySRBOJICLYLVOKN-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.55
Rot. Bonds5

About methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate

methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate (PubChem CID 66899503) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate
PubChem CID66899503
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namemethyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1c(OC)ccc2c1nc(-c1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-27-19-14-13-18-21(20(19)23(26)28-2)24-22(17-11-7-4-8-12-17)25(18)15-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3
InChIKeySRBOJICLYLVOKN-UHFFFAOYSA-N
XLogP4.55
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate?
The IUPAC name of methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate (CID 66899503) is methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate is COC(=O)c1c(OC)ccc2c1nc(-c1ccccc1)n2Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate?
The InChIKey is SRBOJICLYLVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-27-19-14-13-18-21(20(19)23(26)28-2)24-22(17-11-7-4-8-12-17)25(18)15-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3.
What are the key properties of methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate?
methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-5-methoxy-2-phenylbenzimidazole-4-carboxylate is sourced from PubChem (CID 66899503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).