N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

C19H22N4O2 — CID 46796492

IUPACN-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-14(24)11-21-19-22-16-9-5-6-10-17(16)23(19)13-18(25)20-12-15-7-3-2-4-8-15/h2-10,14,24H,11-13H2,1H3,(H,20,25)(H,21,22)
InChIKeyZAMSKXANNSZMQN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.15
Rot. Bonds7

About N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (PubChem CID 46796492) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
PubChem CID46796492
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-14(24)11-21-19-22-16-9-5-6-10-17(16)23(19)13-18(25)20-12-15-7-3-2-4-8-15/h2-10,14,24H,11-13H2,1H3,(H,20,25)(H,21,22)
InChIKeyZAMSKXANNSZMQN-UHFFFAOYSA-N
XLogP2.15
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92852643
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971048
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 98595972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (CID 46796492) is N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is CC(O)CNc1nc2ccccc2n1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The InChIKey is ZAMSKXANNSZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(24)11-21-19-22-16-9-5-6-10-17(16)23(19)13-18(25)20-12-15-7-3-2-4-8-15/h2-10,14,24H,11-13H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46796492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).