N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide

C23H28N4O2 — CID 145495218

IUPACN-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1cccc(C(=O)NCc2ccc(OCCCn3ccnc3)cc2)c1
InChIInChI=1S/C23H28N4O2/c1-24-11-10-19-4-2-5-21(16-19)23(28)26-17-20-6-8-22(9-7-20)29-15-3-13-27-14-12-25-18-27/h2,4-9,12,14,16,18,24H,3,10-11,13,15,17H2,1H3,(H,26,28)
InChIKeyWAJKLPXUZUKBMO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.04
Rot. Bonds11

About N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide

N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide (PubChem CID 145495218) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide
PubChem CID145495218
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1cccc(C(=O)NCc2ccc(OCCCn3ccnc3)cc2)c1
InChIInChI=1S/C23H28N4O2/c1-24-11-10-19-4-2-5-21(16-19)23(28)26-17-20-6-8-22(9-7-20)29-15-3-13-27-14-12-25-18-27/h2,4-9,12,14,16,18,24H,3,10-11,13,15,17H2,1H3,(H,26,28)
InChIKeyWAJKLPXUZUKBMO-UHFFFAOYSA-N
XLogP3.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methylamino)ethyl]-N-[[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]methyl]benzamide
CID 145495124
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
3-(2-aminoethyl)-N-[[4-(3-bromopropoxy)phenyl]methyl]benzamide
CID 69047071
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide (CID 145495218) is N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide is CNCCc1cccc(C(=O)NCc2ccc(OCCCn3ccnc3)cc2)c1.
What is the InChIKey of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide?
The InChIKey is WAJKLPXUZUKBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-24-11-10-19-4-2-5-21(16-19)23(28)26-17-20-6-8-22(9-7-20)29-15-3-13-27-14-12-25-18-27/h2,4-9,12,14,16,18,24H,3,10-11,13,15,17H2,1H3,(H,26,28).
What are the key properties of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide?
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 145495218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).