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

C24H27N3O3 — CID 7246301

IUPAC[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-16-11-13-26(14-12-16)23(28)17(2)30-24(29)19-9-10-22-21(15-19)25-18(3)27(22)20-7-5-4-6-8-20/h4-10,15-17H,11-14H2,1-3H3/t17-/m1/s1
InChIKeyQVOMUYHHZVBWRI-QGZVFWFLSA-N
MW405.50 g/mol
LogP4.14
Rot. Bonds4

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

[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 7246301) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID7246301
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-16-11-13-26(14-12-16)23(28)17(2)30-24(29)19-9-10-22-21(15-19)25-18(3)27(22)20-7-5-4-6-8-20/h4-10,15-17H,11-14H2,1-3H3/t17-/m1/s1
InChIKeyQVOMUYHHZVBWRI-QGZVFWFLSA-N
XLogP4.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171308
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 27362425
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043247
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043262
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 46621969
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171317
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
[(1S)-2-oxocyclohexyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171323
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 7246301) is [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is Cc1nc2cc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)ccc2n1-c1ccccc1.
What is the InChIKey of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is QVOMUYHHZVBWRI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-11-13-26(14-12-16)23(28)17(2)30-24(29)19-9-10-22-21(15-19)25-18(3)27(22)20-7-5-4-6-8-20/h4-10,15-17H,11-14H2,1-3H3/t17-/m1/s1.
What are the key properties of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 7246301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).