2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide

C23H19Cl2FN4O — CID 83289928

IUPAC2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21)NCCc1ccccn1
InChIInChI=1S/C23H19Cl2FN4O/c24-18-12-20-21(13-19(18)25)30(22(29-20)11-15-4-6-16(26)7-5-15)14-23(31)28-10-8-17-3-1-2-9-27-17/h1-7,9,12-13H,8,10-11,14H2,(H,28,31)
InChIKeyAXSNOGWMYKTFIC-UHFFFAOYSA-N
MW457.34 g/mol
LogP4.83
Rot. Bonds7

About 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide

2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 83289928) has the molecular formula C23H19Cl2FN4O and a molecular weight of 457.34 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID83289928
Molecular FormulaC23H19Cl2FN4O
Molecular Weight457.34 g/mol
Exact Mass456.09
IUPAC Name2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21)NCCc1ccccn1
InChIInChI=1S/C23H19Cl2FN4O/c24-18-12-20-21(13-19(18)25)30(22(29-20)11-15-4-6-16(26)7-5-15)14-23(31)28-10-8-17-3-1-2-9-27-17/h1-7,9,12-13H,8,10-11,14H2,(H,28,31)
InChIKeyAXSNOGWMYKTFIC-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 83287101
(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide
CID 97036999
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
2-(2,4-difluorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 31971931
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
3-bromo-4-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040322

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide (CID 83289928) is 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide is O=C(Cn1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21)NCCc1ccccn1.
What is the InChIKey of 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is AXSNOGWMYKTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O/c24-18-12-20-21(13-19(18)25)30(22(29-20)11-15-4-6-16(26)7-5-15)14-23(31)28-10-8-17-3-1-2-9-27-17/h1-7,9,12-13H,8,10-11,14H2,(H,28,31).
What are the key properties of 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide?
2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 457.34 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 83289928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).