3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide

C14H20N4O — CID 115153099

IUPAC3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCN(CCc1ccc2c(c1)ncn2C)C(=O)CCN
InChIInChI=1S/C14H20N4O/c1-17(14(19)5-7-15)8-6-11-3-4-13-12(9-11)16-10-18(13)2/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyOCPXFMPJAMTIOP-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.92
Rot. Bonds5

About 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide

3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide (PubChem CID 115153099) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
PubChem CID115153099
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCN(CCc1ccc2c(c1)ncn2C)C(=O)CCN
InChIInChI=1S/C14H20N4O/c1-17(14(19)5-7-15)8-6-11-3-4-13-12(9-11)16-10-18(13)2/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyOCPXFMPJAMTIOP-UHFFFAOYSA-N
XLogP0.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115139454
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441
3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
4-(1-methylbenzimidazol-5-yl)butanehydrazide
CID 116843638
N'-[(1-methylbenzimidazol-5-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912918
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide (CID 115153099) is 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide is CN(CCc1ccc2c(c1)ncn2C)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is OCPXFMPJAMTIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(14(19)5-7-15)8-6-11-3-4-13-12(9-11)16-10-18(13)2/h3-4,9-10H,5-8,15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115153099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).