N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C22H24N4O2 — CID 102564423

IUPACN-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCC(C)[C@H](NC(=O)CC1NC(=O)c2ccccc21)c1nc2ccccc2n1C
InChIInChI=1S/C22H24N4O2/c1-13(2)20(21-23-16-10-6-7-11-18(16)26(21)3)25-19(27)12-17-14-8-4-5-9-15(14)22(28)24-17/h4-11,13,17,20H,12H2,1-3H3,(H,24,28)(H,25,27)/t17?,20-/m0/s1
InChIKeyBPTLBKATMUUMJB-OZBJMMHXSA-N
MW376.46 g/mol
LogP3.26
Rot. Bonds5

About N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 102564423) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID102564423
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCC(C)[C@H](NC(=O)CC1NC(=O)c2ccccc21)c1nc2ccccc2n1C
InChIInChI=1S/C22H24N4O2/c1-13(2)20(21-23-16-10-6-7-11-18(16)26(21)3)25-19(27)12-17-14-8-4-5-9-15(14)22(28)24-17/h4-11,13,17,20H,12H2,1-3H3,(H,24,28)(H,25,27)/t17?,20-/m0/s1
InChIKeyBPTLBKATMUUMJB-OZBJMMHXSA-N
XLogP3.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 125400617
N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97489803
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 127253061
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 71826971
5-(dithiolan-3-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pentanamide
CID 91636794
1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 102564420
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[3-(benzotriazol-1-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95136208
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 71831255
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 97045827

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 102564423) is N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is CC(C)[C@H](NC(=O)CC1NC(=O)c2ccccc21)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is BPTLBKATMUUMJB-OZBJMMHXSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13(2)20(21-23-16-10-6-7-11-18(16)26(21)3)25-19(27)12-17-14-8-4-5-9-15(14)22(28)24-17/h4-11,13,17,20H,12H2,1-3H3,(H,24,28)(H,25,27)/t17?,20-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 102564423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).