phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

C23H18N2O3 — CID 7043609

IUPACphenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCC(=O)c3ccccc3)ccc2n1-c1ccccc1
InChIInChI=1S/C23H18N2O3/c1-16-24-20-14-18(12-13-21(20)25(16)19-10-6-3-7-11-19)23(27)28-15-22(26)17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyIQCDPUAGVVCBLE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.37
Rot. Bonds5

About phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 7043609) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namephenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID7043609
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Namephenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCC(=O)c3ccccc3)ccc2n1-c1ccccc1
InChIInChI=1S/C23H18N2O3/c1-16-24-20-14-18(12-13-21(20)25(16)19-10-6-3-7-11-19)23(27)28-15-22(26)17-8-4-2-5-9-17/h2-14H,15H2,1H3
InChIKeyIQCDPUAGVVCBLE-UHFFFAOYSA-N
XLogP4.37
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 46786678
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043244
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 40672722
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 8002313
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043262
[2-oxo-2-(2-phenylanilino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4001709
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171317
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043247
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043534
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4022244

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 7043609) is phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is Cc1nc2cc(C(=O)OCC(=O)c3ccccc3)ccc2n1-c1ccccc1.
What is the InChIKey of phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is IQCDPUAGVVCBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-16-24-20-14-18(12-13-21(20)25(16)19-10-6-3-7-11-19)23(27)28-15-22(26)17-8-4-2-5-9-17/h2-14H,15H2,1H3.
What are the key properties of phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 7043609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).