3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide

C15H22N4O — CID 62506748

IUPAC3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(CC)nc2cc(N)ccc21
InChIInChI=1S/C15H22N4O/c1-3-8-17-15(20)7-9-19-13-6-5-11(16)10-12(13)18-14(19)4-2/h5-6,10H,3-4,7-9,16H2,1-2H3,(H,17,20)
InChIKeyJWBZACITBJAHLQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.10
Rot. Bonds6

About 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide

3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide (PubChem CID 62506748) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
PubChem CID62506748
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(CC)nc2cc(N)ccc21
InChIInChI=1S/C15H22N4O/c1-3-8-17-15(20)7-9-19-13-6-5-11(16)10-12(13)18-14(19)4-2/h5-6,10H,3-4,7-9,16H2,1-2H3,(H,17,20)
InChIKeyJWBZACITBJAHLQ-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
CID 62507372
3-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62375851
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79401244
3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65345248
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 62594171
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560
N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
CID 82150236
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide (CID 62506748) is 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide is CCCNC(=O)CCn1c(CC)nc2cc(N)ccc21.
What is the InChIKey of 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide?
The InChIKey is JWBZACITBJAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-8-17-15(20)7-9-19-13-6-5-11(16)10-12(13)18-14(19)4-2/h5-6,10H,3-4,7-9,16H2,1-2H3,(H,17,20).
What are the key properties of 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide?
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide has a molecular weight of 274.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 62506748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).