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

C21H22Cl2N4O2 — CID 17410884

IUPACN-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H22Cl2N4O2/c1-12(2)9-18(27-20(28)14-8-7-13(22)10-15(14)23)21(29)24-11-19-25-16-5-3-4-6-17(16)26-19/h3-8,10,12,18H,9,11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyRYKAXXSBMNLZTB-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.33
Rot. Bonds7

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

N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (PubChem CID 17410884) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
PubChem CID17410884
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC NameN-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H22Cl2N4O2/c1-12(2)9-18(27-20(28)14-8-7-13(22)10-15(14)23)21(29)24-11-19-25-16-5-3-4-6-17(16)26-19/h3-8,10,12,18H,9,11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyRYKAXXSBMNLZTB-UHFFFAOYSA-N
XLogP4.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 130467580
2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
CID 106509697
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 130448110
2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 118878691
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (CID 17410884) is N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is RYKAXXSBMNLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c1-12(2)9-18(27-20(28)14-8-7-13(22)10-15(14)23)21(29)24-11-19-25-16-5-3-4-6-17(16)26-19/h3-8,10,12,18H,9,11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 433.34 g/mol, XLogP of 4.33, 7 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-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 17410884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).