(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

C20H20N4O2 — CID 29132743

IUPAC(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20N4O2/c1-12(2)17(24-11-13-7-3-4-8-14(13)19(24)26)18(25)23-20-21-15-9-5-6-10-16(15)22-20/h3-10,12,17H,11H2,1-2H3,(H2,21,22,23,25)/t17-/m0/s1
InChIKeySLVSVKSWOFVASF-KRWDZBQOSA-N
MW348.41 g/mol
LogP3.18
Rot. Bonds4

About (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 29132743) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID29132743
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20N4O2/c1-12(2)17(24-11-13-7-3-4-8-14(13)19(24)26)18(25)23-20-21-15-9-5-6-10-16(15)22-20/h3-10,12,17H,11H2,1-2H3,(H2,21,22,23,25)/t17-/m0/s1
InChIKeySLVSVKSWOFVASF-KRWDZBQOSA-N
XLogP3.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 86207616
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
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(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
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N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
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(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(3-propanoylphenyl)butanamide
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(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
CID 71829770
(2S)-N-(1H-benzimidazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2596424
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
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N-(1H-benzimidazol-2-yl)-2-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 29132743) is (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is SLVSVKSWOFVASF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(2)17(24-11-13-7-3-4-8-14(13)19(24)26)18(25)23-20-21-15-9-5-6-10-16(15)22-20/h3-10,12,17H,11H2,1-2H3,(H2,21,22,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 348.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 29132743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).