2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide

C15H22N4O — CID 62997725

IUPAC2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNCc1nc2ccccc2n1C
InChIInChI=1S/C15H22N4O/c1-11(2)15(20)17-9-8-16-10-14-18-12-6-4-5-7-13(12)19(14)3/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)
InChIKeyADZZGIXHISQUEY-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.44
Rot. Bonds6

About 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide

2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide (PubChem CID 62997725) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
PubChem CID62997725
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNCc1nc2ccccc2n1C
InChIInChI=1S/C15H22N4O/c1-11(2)15(20)17-9-8-16-10-14-18-12-6-4-5-7-13(12)19(14)3/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)
InChIKeyADZZGIXHISQUEY-UHFFFAOYSA-N
XLogP1.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.44
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

2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
CID 63002029
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641544
1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 134056803
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide (CID 62997725) is 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide is CC(C)C(=O)NCCNCc1nc2ccccc2n1C.
What is the InChIKey of 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide?
The InChIKey is ADZZGIXHISQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)15(20)17-9-8-16-10-14-18-12-6-4-5-7-13(12)19(14)3/h4-7,11,16H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide?
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide has a molecular weight of 274.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide is sourced from PubChem (CID 62997725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).