2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide

C22H15Cl4N3O — CID 66965604

IUPAC2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1c(Cl)cccc1Cl)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C22H15Cl4N3O/c23-14-3-1-4-15(24)13(14)9-10-27-22(30)12-7-8-18-19(11-12)29-21(28-18)20-16(25)5-2-6-17(20)26/h1-8,11H,9-10H2,(H,27,30)(H,28,29)
InChIKeyKXZJYRKMRBZRCA-UHFFFAOYSA-N
MW479.19 g/mol
LogP6.82
Rot. Bonds5

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

2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 66965604) has the molecular formula C22H15Cl4N3O and a molecular weight of 479.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID66965604
Molecular FormulaC22H15Cl4N3O
Molecular Weight479.19 g/mol
Exact Mass477.00
IUPAC Name2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1c(Cl)cccc1Cl)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C22H15Cl4N3O/c23-14-3-1-4-15(24)13(14)9-10-27-22(30)12-7-8-18-19(11-12)29-21(28-18)20-16(25)5-2-6-17(20)26/h1-8,11H,9-10H2,(H,27,30)(H,28,29)
InChIKeyKXZJYRKMRBZRCA-UHFFFAOYSA-N
XLogP6.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.19
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965180
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide
CID 66966775
2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 66965658
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 66965604) is 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCc1c(Cl)cccc1Cl)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KXZJYRKMRBZRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl4N3O/c23-14-3-1-4-15(24)13(14)9-10-27-22(30)12-7-8-18-19(11-12)29-21(28-18)20-16(25)5-2-6-17(20)26/h1-8,11H,9-10H2,(H,27,30)(H,28,29).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 479.19 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).