N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

C22H24N4O2 — CID 124855705

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C)[C@@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24N4O2/c1-14(2)20(21-23-17-9-5-6-10-18(17)24-21)25-19(27)11-12-26-13-15-7-3-4-8-16(15)22(26)28/h3-10,14,20H,11-13H2,1-2H3,(H,23,24)(H,25,27)/t20-/m1/s1
InChIKeyZNSRXBVAKVTHAZ-HXUWFJFHSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds6

About N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 124855705) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID124855705
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C)[C@@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24N4O2/c1-14(2)20(21-23-17-9-5-6-10-18(17)24-21)25-19(27)11-12-26-13-15-7-3-4-8-16(15)22(26)28/h3-10,14,20H,11-13H2,1-2H3,(H,23,24)(H,25,27)/t20-/m1/s1
InChIKeyZNSRXBVAKVTHAZ-HXUWFJFHSA-N
XLogP3.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 51158145
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 118985729
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-pyrazol-1-ylbutanamide
CID 71827916
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
CID 124850212
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121708
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 75491390
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 124855705) is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is CC(C)[C@@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is ZNSRXBVAKVTHAZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)20(21-23-17-9-5-6-10-18(17)24-21)25-19(27)11-12-26-13-15-7-3-4-8-16(15)22(26)28/h3-10,14,20H,11-13H2,1-2H3,(H,23,24)(H,25,27)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 124855705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).