1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide

C22H23Cl2N5O2 — CID 171336437

IUPAC1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
SMILESCC(NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H23Cl2N5O2/c1-13(20-27-18-4-2-3-5-19(18)28-20)25-22(31)29-10-8-14(9-11-29)21(30)26-15-6-7-16(23)17(24)12-15/h2-7,12-14H,8-11H2,1H3,(H,25,31)(H,26,30)(H,27,28)
InChIKeyYLNYFACTTIXCEX-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.99
Rot. Bonds4

About 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide

1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide (PubChem CID 171336437) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
PubChem CID171336437
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
SMILESCC(NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H23Cl2N5O2/c1-13(20-27-18-4-2-3-5-19(18)28-20)25-22(31)29-10-8-14(9-11-29)21(30)26-15-6-7-16(23)17(24)12-15/h2-7,12-14H,8-11H2,1H3,(H,25,31)(H,26,30)(H,27,28)
InChIKeyYLNYFACTTIXCEX-UHFFFAOYSA-N
XLogP4.99
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
CID 124589881
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128839198
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
1-[2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 41282914
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 51939861
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 126440866
N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide
CID 171320870
1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
CID 9116736
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 60620375

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide (CID 171336437) is 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide is CC(NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
The InChIKey is YLNYFACTTIXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-13(20-27-18-4-2-3-5-19(18)28-20)25-22(31)29-10-8-14(9-11-29)21(30)26-15-6-7-16(23)17(24)12-15/h2-7,12-14H,8-11H2,1H3,(H,25,31)(H,26,30)(H,27,28).
What are the key properties of 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide?
1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide has a molecular weight of 460.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 171336437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).