2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride

C14H21ClN4O — CID 120703538

IUPAC2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCn1c(C)nc2ccccc21.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-11-17-12-6-3-4-7-13(12)18(11)9-5-8-16-14(19)10-15-2;/h3-4,6-7,15H,5,8-10H2,1-2H3,(H,16,19);1H
InChIKeyAGKNHKPKSXOIDP-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.49
Rot. Bonds6

About 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride

2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride (PubChem CID 120703538) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
PubChem CID120703538
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCn1c(C)nc2ccccc21.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-11-17-12-6-3-4-7-13(12)18(11)9-5-8-16-14(19)10-15-2;/h3-4,6-7,15H,5,8-10H2,1-2H3,(H,16,19);1H
InChIKeyAGKNHKPKSXOIDP-UHFFFAOYSA-N
XLogP1.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.49
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-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
2-(1-adamantyl)-N-[2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoethyl]acetamide
CID 134036952
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]-N-propylpropanamide
CID 111352604
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340316

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride (CID 120703538) is 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride is CNCC(=O)NCCCn1c(C)nc2ccccc21.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride?
The InChIKey is AGKNHKPKSXOIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.ClH/c1-11-17-12-6-3-4-7-13(12)18(11)9-5-8-16-14(19)10-15-2;/h3-4,6-7,15H,5,8-10H2,1-2H3,(H,16,19);1H.
What are the key properties of 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120703538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).