[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate

C25H22N2O4 — CID 7171308

IUPAC[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O4/c1-16(24(28)18-9-12-21(30-3)13-10-18)31-25(29)19-11-14-23-22(15-19)26-17(2)27(23)20-7-5-4-6-8-20/h4-16H,1-3H3/t16-/m1/s1
InChIKeyIMFVNWJAWZCEJZ-MRXNPFEDSA-N
MW414.46 g/mol
LogP4.77
Rot. Bonds6

About [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 7171308) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID7171308
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O4/c1-16(24(28)18-9-12-21(30-3)13-10-18)31-25(29)19-11-14-23-22(15-19)26-17(2)27(23)20-7-5-4-6-8-20/h4-16H,1-3H3/t16-/m1/s1
InChIKeyIMFVNWJAWZCEJZ-MRXNPFEDSA-N
XLogP4.77
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 7171308) is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is IMFVNWJAWZCEJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-16(24(28)18-9-12-21(30-3)13-10-18)31-25(29)19-11-14-23-22(15-19)26-17(2)27(23)20-7-5-4-6-8-20/h4-16H,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 7171308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).