3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide

C20H24N4O2 — CID 90654010

IUPAC3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
SMILESCc1ccc2[nH]c(CCC(=O)NCCCn3ccccc3=O)nc2c1C
InChIInChI=1S/C20H24N4O2/c1-14-7-8-16-20(15(14)2)23-17(22-16)9-10-18(25)21-11-5-13-24-12-4-3-6-19(24)26/h3-4,6-8,12H,5,9-11,13H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFJYYYENMJVCVJO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.48
Rot. Bonds7

About 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide

3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide (PubChem CID 90654010) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
PubChem CID90654010
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
SMILESCc1ccc2[nH]c(CCC(=O)NCCCn3ccccc3=O)nc2c1C
InChIInChI=1S/C20H24N4O2/c1-14-7-8-16-20(15(14)2)23-17(22-16)9-10-18(25)21-11-5-13-24-12-4-3-6-19(24)26/h3-4,6-8,12H,5,9-11,13H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFJYYYENMJVCVJO-UHFFFAOYSA-N
XLogP2.48
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.48
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-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
CID 91841705
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 135101692
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91789595
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91760615
(2R)-N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97269122
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 104681861
N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119548614
1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 50950126
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72875953

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide (CID 90654010) is 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide is Cc1ccc2[nH]c(CCC(=O)NCCCn3ccccc3=O)nc2c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
The InChIKey is FJYYYENMJVCVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-7-8-16-20(15(14)2)23-17(22-16)9-10-18(25)21-11-5-13-24-12-4-3-6-19(24)26/h3-4,6-8,12H,5,9-11,13H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide has a molecular weight of 352.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide is sourced from PubChem (CID 90654010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).