N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

C22H20Cl2N4O — CID 58562311

IUPACN-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESN#CC1(NC(=O)c2ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c2)CCCCC1
InChIInChI=1S/C22H20Cl2N4O/c23-16-5-4-6-17(24)15(16)12-20-26-18-8-7-14(11-19(18)27-20)21(29)28-22(13-25)9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,26,27)(H,28,29)
InChIKeyVHAODNBQMVLSLP-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.42
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 58562311) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID58562311
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC NameN-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESN#CC1(NC(=O)c2ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c2)CCCCC1
InChIInChI=1S/C22H20Cl2N4O/c23-16-5-4-6-17(24)15(16)12-20-26-18-8-7-14(11-19(18)27-20)21(29)28-22(13-25)9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,26,27)(H,28,29)
InChIKeyVHAODNBQMVLSLP-UHFFFAOYSA-N
XLogP5.42
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 58562311) is N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is N#CC1(NC(=O)c2ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VHAODNBQMVLSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c23-16-5-4-6-17(24)15(16)12-20-26-18-8-7-14(11-19(18)27-20)21(29)28-22(13-25)9-2-1-3-10-22/h4-8,11H,1-3,9-10,12H2,(H,26,27)(H,28,29).
What are the key properties of N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 427.34 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).