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

C20H22N4O2 — CID 51221897

IUPACN-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C20H22N4O2/c1-15-6-4-7-16(12-15)20(26)22-13-19(25)21-10-5-11-24-14-23-17-8-2-3-9-18(17)24/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyHPYOXZCREUSGFH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.28
Rot. Bonds7

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

N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 51221897) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
PubChem CID51221897
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C20H22N4O2/c1-15-6-4-7-16(12-15)20(26)22-13-19(25)21-10-5-11-24-14-23-17-8-2-3-9-18(17)24/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyHPYOXZCREUSGFH-UHFFFAOYSA-N
XLogP2.28
TPSA76.02 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 ≤ 52.28
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-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
CID 51165309
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
CID 51277131
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 51222006
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 22108871
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51221928
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
N-[3-(benzimidazol-1-yl)propyl]-3-bromo-4-methoxybenzamide
CID 40718918
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide (CID 51221897) is N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)NCCCn2cnc3ccccc32)c1.
What is the InChIKey of N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is HPYOXZCREUSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-6-4-7-16(12-15)20(26)22-13-19(25)21-10-5-11-24-14-23-17-8-2-3-9-18(17)24/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 51221897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).