N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide

C20H22N4O2 — CID 17031577

IUPACN-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCc2nc3ccccc3n2CC(N)=O)c1
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15(12-14)20(26)22-11-5-10-19-23-16-8-2-3-9-17(16)24(19)13-18(21)25/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,21,25)(H,22,26)
InChIKeyQPPHEEDKVWZTJX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.19
Rot. Bonds7

About N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide

N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide (PubChem CID 17031577) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
PubChem CID17031577
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCc2nc3ccccc3n2CC(N)=O)c1
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15(12-14)20(26)22-11-5-10-19-23-16-8-2-3-9-17(16)24(19)13-18(21)25/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,21,25)(H,22,26)
InChIKeyQPPHEEDKVWZTJX-UHFFFAOYSA-N
XLogP2.19
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031571
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031542
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
3-methyl-N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031539
3-methyl-N-[2-[1-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030797
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide?
The IUPAC name of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide (CID 17031577) is N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCCc2nc3ccccc3n2CC(N)=O)c1.
What is the InChIKey of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide?
The InChIKey is QPPHEEDKVWZTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-4-7-15(12-14)20(26)22-11-5-10-19-23-16-8-2-3-9-17(16)24(19)13-18(21)25/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide?
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide is sourced from PubChem (CID 17031577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).