N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide

C24H22N4O — CID 167826371

IUPACN-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
SMILESO=C(CC1NCc2ccccc21)NCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H22N4O/c29-24(13-22-20-6-2-1-5-18(20)15-25-22)26-14-17-9-11-19(12-10-17)28-16-27-21-7-3-4-8-23(21)28/h1-12,16,22,25H,13-15H2,(H,26,29)
InChIKeyYCIGQBJTPIDZPJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.88
Rot. Bonds5

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide (PubChem CID 167826371) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
PubChem CID167826371
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
SMILESO=C(CC1NCc2ccccc21)NCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H22N4O/c29-24(13-22-20-6-2-1-5-18(20)15-25-22)26-14-17-9-11-19(12-10-17)28-16-27-21-7-3-4-8-23(21)28/h1-12,16,22,25H,13-15H2,(H,26,29)
InChIKeyYCIGQBJTPIDZPJ-UHFFFAOYSA-N
XLogP3.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
CID 167882891
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-N-butan-2-ylpropanamide
CID 78894946
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?
The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide (CID 167826371) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide is O=C(CC1NCc2ccccc21)NCc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?
The InChIKey is YCIGQBJTPIDZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(13-22-20-6-2-1-5-18(20)15-25-22)26-14-17-9-11-19(12-10-17)28-16-27-21-7-3-4-8-23(21)28/h1-12,16,22,25H,13-15H2,(H,26,29).
What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide?
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide is sourced from PubChem (CID 167826371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).