2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide

C20H21N5O2 — CID 90650920

IUPAC2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C)n1cnc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-13(25-12-22-15-6-4-5-7-16(15)25)19(26)21-11-14-8-9-17-18(10-14)24(3)20(27)23(17)2/h4-10,12-13H,11H2,1-3H3,(H,21,26)
InChIKeyJHYMBKAYHXOHKE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.10
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide

2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide (PubChem CID 90650920) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
PubChem CID90650920
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C)n1cnc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-13(25-12-22-15-6-4-5-7-16(15)25)19(26)21-11-14-8-9-17-18(10-14)24(3)20(27)23(17)2/h4-10,12-13H,11H2,1-3H3,(H,21,26)
InChIKeyJHYMBKAYHXOHKE-UHFFFAOYSA-N
XLogP2.10
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 95148434
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
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(2S)-2-(benzimidazol-1-yl)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]propanamide
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2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
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(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
CID 125177370
2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
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2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide (CID 90650920) is 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide is CC(C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide?
The InChIKey is JHYMBKAYHXOHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(25-12-22-15-6-4-5-7-16(15)25)19(26)21-11-14-8-9-17-18(10-14)24(3)20(27)23(17)2/h4-10,12-13H,11H2,1-3H3,(H,21,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide?
2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide has a molecular weight of 363.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 90650920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).