4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide

C25H26N4O — CID 172669867

IUPAC4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide
SMILESNCCc1ccc(-c2ccc(C(=O)NCCCc3ncc[nH]3)c3ccccc23)cc1
InChIInChI=1S/C25H26N4O/c26-14-13-18-7-9-19(10-8-18)20-11-12-23(22-5-2-1-4-21(20)22)25(30)29-15-3-6-24-27-16-17-28-24/h1-2,4-5,7-12,16-17H,3,6,13-15,26H2,(H,27,28)(H,29,30)
InChIKeyZIBROALZLCTNSE-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.09
Rot. Bonds8

About 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide

4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide (PubChem CID 172669867) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide
PubChem CID172669867
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide
SMILESNCCc1ccc(-c2ccc(C(=O)NCCCc3ncc[nH]3)c3ccccc23)cc1
InChIInChI=1S/C25H26N4O/c26-14-13-18-7-9-19(10-8-18)20-11-12-23(22-5-2-1-4-21(20)22)25(30)29-15-3-6-24-27-16-17-28-24/h1-2,4-5,7-12,16-17H,3,6,13-15,26H2,(H,27,28)(H,29,30)
InChIKeyZIBROALZLCTNSE-UHFFFAOYSA-N
XLogP4.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120564
2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide
CID 107076623
N-(3-aminopropyl)-4-(3-hydroxyphenyl)naphthalene-1-carboxamide
CID 172671517
5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107185960
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
N-(2-aminoethyl)-4-[4-(2-cyanopropan-2-yl)phenyl]naphthalene-1-carboxamide
CID 172661655
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
CID 91763304

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide?
The IUPAC name of 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide (CID 172669867) is 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide is NCCc1ccc(-c2ccc(C(=O)NCCCc3ncc[nH]3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide?
The InChIKey is ZIBROALZLCTNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c26-14-13-18-7-9-19(10-8-18)20-11-12-23(22-5-2-1-4-21(20)22)25(30)29-15-3-6-24-27-16-17-28-24/h1-2,4-5,7-12,16-17H,3,6,13-15,26H2,(H,27,28)(H,29,30).
What are the key properties of 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide?
4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 172669867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).