N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide

C19H20N4O2 — CID 1252284

IUPACN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C19H20N4O2/c1-13(24)20-11-10-18-22-16-12-15(8-9-17(16)23(18)2)21-19(25)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyQOMQEUQOUGCOGI-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide

N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide (PubChem CID 1252284) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide
PubChem CID1252284
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C19H20N4O2/c1-13(24)20-11-10-18-22-16-12-15(8-9-17(16)23(18)2)21-19(25)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyQOMQEUQOUGCOGI-UHFFFAOYSA-N
XLogP2.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-({4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}amido)pyrrolidine-1-carboxylate
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10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide (CID 1252284) is N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide is CC(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C.
What is the InChIKey of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide?
The InChIKey is QOMQEUQOUGCOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(24)20-11-10-18-22-16-12-15(8-9-17(16)23(18)2)21-19(25)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide?
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide is sourced from PubChem (CID 1252284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).