N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide

C15H22N4O — CID 69457605

IUPACN-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide
SMILESCCC(=O)NCCCn1c(N)nc2cccc(CC)c21
InChIInChI=1S/C15H22N4O/c1-3-11-7-5-8-12-14(11)19(15(16)18-12)10-6-9-17-13(20)4-2/h5,7-8H,3-4,6,9-10H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyMFSCYDSYTRUNPJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.10
Rot. Bonds6

About N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide

N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide (PubChem CID 69457605) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide
PubChem CID69457605
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide
SMILESCCC(=O)NCCCn1c(N)nc2cccc(CC)c21
InChIInChI=1S/C15H22N4O/c1-3-11-7-5-8-12-14(11)19(15(16)18-12)10-6-9-17-13(20)4-2/h5,7-8H,3-4,6,9-10H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyMFSCYDSYTRUNPJ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide?
The IUPAC name of N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide (CID 69457605) is N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide?
The canonical SMILES for N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide is CCC(=O)NCCCn1c(N)nc2cccc(CC)c21.
What is the InChIKey of N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide?
The InChIKey is MFSCYDSYTRUNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-11-7-5-8-12-14(11)19(15(16)18-12)10-6-9-17-13(20)4-2/h5,7-8H,3-4,6,9-10H2,1-2H3,(H2,16,18)(H,17,20).
What are the key properties of N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide?
N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide 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 N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 69457605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).