6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid

C22H23N3O3 — CID 122113357

IUPAC6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nc2cc(C(=O)N3CC(C(=O)O)CCC3C)ccc2n1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-17(22(27)28)13-24(14)21(26)16-10-11-20-19(12-16)23-15(2)25(20)18-6-4-3-5-7-18/h3-7,10-12,14,17H,8-9,13H2,1-2H3,(H,27,28)
InChIKeyIZJWZJONKWSSCL-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.66
Rot. Bonds3

About 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid

6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122113357) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID122113357
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nc2cc(C(=O)N3CC(C(=O)O)CCC3C)ccc2n1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-17(22(27)28)13-24(14)21(26)16-10-11-20-19(12-16)23-15(2)25(20)18-6-4-3-5-7-18/h3-7,10-12,14,17H,8-9,13H2,1-2H3,(H,27,28)
InChIKeyIZJWZJONKWSSCL-UHFFFAOYSA-N
XLogP3.66
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043247
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;dihydrochloride
CID 120656617
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
(3S,6R)-1-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 166317624
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328
2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
CID 167929322
4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
CID 49418952
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid (CID 122113357) is 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid is Cc1nc2cc(C(=O)N3CC(C(=O)O)CCC3C)ccc2n1-c1ccccc1.
What is the InChIKey of 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IZJWZJONKWSSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-8-9-17(22(27)28)13-24(14)21(26)16-10-11-20-19(12-16)23-15(2)25(20)18-6-4-3-5-7-18/h3-7,10-12,14,17H,8-9,13H2,1-2H3,(H,27,28).
What are the key properties of 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122113357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).