2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide

C13H18N4O — CID 63636686

IUPAC2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(CCN)nc2ccccc21
InChIInChI=1S/C13H18N4O/c1-9(13(18)15-2)17-11-6-4-3-5-10(11)16-12(17)7-8-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)
InChIKeyMFTNARAKMPRJIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide (PubChem CID 63636686) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
PubChem CID63636686
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(CCN)nc2ccccc21
InChIInChI=1S/C13H18N4O/c1-9(13(18)15-2)17-11-6-4-3-5-10(11)16-12(17)7-8-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,18)
InChIKeyMFTNARAKMPRJIQ-UHFFFAOYSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide
CID 63637877
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
3-[1-(methylamino)-1-oxopropan-2-yl]-2-propylbenzimidazole-5-carboxylic acid
CID 82769223
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-[2-[(4-aminophenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 82024733
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 62376352
2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 63638092
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide (CID 63636686) is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1c(CCN)nc2ccccc21.
What is the InChIKey of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide?
The InChIKey is MFTNARAKMPRJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(13(18)15-2)17-11-6-4-3-5-10(11)16-12(17)7-8-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide?
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 63636686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).