3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide

C25H24Cl2N4O — CID 83287101

IUPAC3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C25H24Cl2N4O/c1-17-5-4-6-18(13-17)14-24-30-22-15-20(26)21(27)16-23(22)31(24)12-9-25(32)29-11-8-19-7-2-3-10-28-19/h2-7,10,13,15-16H,8-9,11-12,14H2,1H3,(H,29,32)
InChIKeyXHHBBTRNLLADLV-UHFFFAOYSA-N
MW467.40 g/mol
LogP5.39
Rot. Bonds8

About 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide

3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 83287101) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID83287101
Molecular FormulaC25H24Cl2N4O
Molecular Weight467.40 g/mol
Exact Mass466.13
IUPAC Name3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C25H24Cl2N4O/c1-17-5-4-6-18(13-17)14-24-30-22-15-20(26)21(27)16-23(22)31(24)12-9-25(32)29-11-8-19-7-2-3-10-28-19/h2-7,10,13,15-16H,8-9,11-12,14H2,1H3,(H,29,32)
InChIKeyXHHBBTRNLLADLV-UHFFFAOYSA-N
XLogP5.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 83289928
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide
CID 97036999
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42810075
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 83278616
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3-methylphenyl)propanamide
CID 110672012

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 83287101) is 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide is Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)NCCc2ccccn2)c1.
What is the InChIKey of 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is XHHBBTRNLLADLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c1-17-5-4-6-18(13-17)14-24-30-22-15-20(26)21(27)16-23(22)31(24)12-9-25(32)29-11-8-19-7-2-3-10-28-19/h2-7,10,13,15-16H,8-9,11-12,14H2,1H3,(H,29,32).
What are the key properties of 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide?
3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 467.40 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 83287101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).