N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

C19H18N4O2 — CID 97496646

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O2/c24-18(11-16-12-5-1-2-6-13(12)19(25)23-16)20-10-9-17-21-14-7-3-4-8-15(14)22-17/h1-8,16H,9-11H2,(H,20,24)(H,21,22)(H,23,25)/t16-/m0/s1
InChIKeyYQONYRQXKFFGIG-INIZCTEOSA-N
MW334.38 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (PubChem CID 97496646) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
PubChem CID97496646
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)c2ccccc21)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4O2/c24-18(11-16-12-5-1-2-6-13(12)19(25)23-16)20-10-9-17-21-14-7-3-4-8-15(14)22-17/h1-8,16H,9-11H2,(H,20,24)(H,21,22)(H,23,25)/t16-/m0/s1
InChIKeyYQONYRQXKFFGIG-INIZCTEOSA-N
XLogP2.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide with MolForge

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Related Compounds

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97489803
N-[3-(benzotriazol-1-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95136208
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 86207036
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 97497016
N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 74230715
N-[3-(1H-benzimidazol-2-yl)propyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119838297

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (CID 97496646) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is O=C(C[C@@H]1NC(=O)c2ccccc21)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The InChIKey is YQONYRQXKFFGIG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(11-16-12-5-1-2-6-13(12)19(25)23-16)20-10-9-17-21-14-7-3-4-8-15(14)22-17/h1-8,16H,9-11H2,(H,20,24)(H,21,22)(H,23,25)/t16-/m0/s1.
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is sourced from PubChem (CID 97496646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).