3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C20H28ClN5O2 — CID 139007358

IUPAC3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)NCc2nc3cccc(Cl)c3n2C)C1
InChIInChI=1S/C20H28ClN5O2/c1-13(2)10-23-20(28)26-9-5-6-14(12-26)19(27)22-11-17-24-16-8-4-7-15(21)18(16)25(17)3/h4,7-8,13-14H,5-6,9-12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyUPYPJINQYUYENU-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.92
Rot. Bonds5

About 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 139007358) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID139007358
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)NCc2nc3cccc(Cl)c3n2C)C1
InChIInChI=1S/C20H28ClN5O2/c1-13(2)10-23-20(28)26-9-5-6-14(12-26)19(27)22-11-17-24-16-8-4-7-15(21)18(16)25(17)3/h4,7-8,13-14H,5-6,9-12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyUPYPJINQYUYENU-UHFFFAOYSA-N
XLogP2.92
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-[(7-chloro-1-methylbenzimidazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122010524
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 139008536
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 166222077
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110568
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416108
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996

Frequently Asked Questions

What is the IUPAC name of 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 139007358) is 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CC(C)CNC(=O)N1CCCC(C(=O)NCc2nc3cccc(Cl)c3n2C)C1.
What is the InChIKey of 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is UPYPJINQYUYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O2/c1-13(2)10-23-20(28)26-9-5-6-14(12-26)19(27)22-11-17-24-16-8-4-7-15(21)18(16)25(17)3/h4,7-8,13-14H,5-6,9-12H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 405.93 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 139007358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).