N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide

C20H20Cl2N4O2 — CID 43002570

IUPACN-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H20Cl2N4O2/c1-11(2)9-17(23-18(27)13-8-7-12(21)10-14(13)22)19(28)26-20-24-15-5-3-4-6-16(15)25-20/h3-8,10-11,17H,9H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyOITFBJLZJPRKAU-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.65
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide

N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (PubChem CID 43002570) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
PubChem CID43002570
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H20Cl2N4O2/c1-11(2)9-17(23-18(27)13-8-7-12(21)10-14(13)22)19(28)26-20-24-15-5-3-4-6-16(15)25-20/h3-8,10-11,17H,9H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyOITFBJLZJPRKAU-UHFFFAOYSA-N
XLogP4.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 17410884
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
CID 2089424
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (CID 43002570) is N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is OITFBJLZJPRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-11(2)9-17(23-18(27)13-8-7-12(21)10-14(13)22)19(28)26-20-24-15-5-3-4-6-16(15)25-20/h3-8,10-11,17H,9H2,1-2H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 419.31 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 43002570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).