ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate

C24H23N3O2 — CID 90645143

IUPACethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2-c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-4-29-24(28)18-12-15-22-21(16-18)25-23(27(22)20-8-6-5-7-9-20)17-10-13-19(14-11-17)26(2)3/h5-16H,4H2,1-3H3
InChIKeyGMHMLPREGQGSSE-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.94
Rot. Bonds5

About ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate

ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate (PubChem CID 90645143) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate
PubChem CID90645143
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Nameethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2-c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-4-29-24(28)18-12-15-22-21(16-18)25-23(27(22)20-8-6-5-7-9-20)17-10-13-19(14-11-17)26(2)3/h5-16H,4H2,1-3H3
InChIKeyGMHMLPREGQGSSE-UHFFFAOYSA-N
XLogP4.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate (CID 90645143) is ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2-c1ccccc1.
What is the InChIKey of ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is GMHMLPREGQGSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-4-29-24(28)18-12-15-22-21(16-18)25-23(27(22)20-8-6-5-7-9-20)17-10-13-19(14-11-17)26(2)3/h5-16H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate?
ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylamino)phenyl]-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 90645143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).