N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide

C21H21N5O2 — CID 55451342

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C21H21N5O2/c1-15-24-17-8-3-5-10-19(17)25(15)12-6-11-22-21(28)14-26-18-9-4-2-7-16(18)20(27)13-23-26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,22,28)
InChIKeyVUKKPNYPZRRJEE-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.26
Rot. Bonds6

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55451342) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55451342
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C21H21N5O2/c1-15-24-17-8-3-5-10-19(17)25(15)12-6-11-22-21(28)14-26-18-9-4-2-7-16(18)20(27)13-23-26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,22,28)
InChIKeyVUKKPNYPZRRJEE-UHFFFAOYSA-N
XLogP2.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17476622
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340418
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55451342) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide is Cc1nc2ccccc2n1CCCNC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is VUKKPNYPZRRJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15-24-17-8-3-5-10-19(17)25(15)12-6-11-22-21(28)14-26-18-9-4-2-7-16(18)20(27)13-23-26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,22,28).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55451342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).