N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide

C19H18N4O — CID 6481807

IUPACN-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/c2cccc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C19H18N4O/c1-15(24)22-18-7-5-16(6-8-18)12-21-19-4-2-3-17(11-19)13-23-10-9-20-14-23/h2-12,14H,13H2,1H3,(H,22,24)/b21-12+
InChIKeyOQLIDIDTPSDDPR-CIAFOILYSA-N
MW318.38 g/mol
LogP3.64
Rot. Bonds5

About N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide

N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide (PubChem CID 6481807) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide
PubChem CID6481807
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/c2cccc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C19H18N4O/c1-15(24)22-18-7-5-16(6-8-18)12-21-19-4-2-3-17(11-19)13-23-10-9-20-14-23/h2-12,14H,13H2,1H3,(H,22,24)/b21-12+
InChIKeyOQLIDIDTPSDDPR-CIAFOILYSA-N
XLogP3.64
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 144833537
1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 123541179
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 86987887
ethyl 3-[3-(imidazol-1-ylmethyl)phenyl]prop-2-enoate
CID 54081431
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
CID 47028953
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide (CID 6481807) is N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=N/c2cccc(Cn3ccnc3)c2)cc1.
What is the InChIKey of N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide?
The InChIKey is OQLIDIDTPSDDPR-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-15(24)22-18-7-5-16(6-8-18)12-21-19-4-2-3-17(11-19)13-23-10-9-20-14-23/h2-12,14H,13H2,1H3,(H,22,24)/b21-12+.
What are the key properties of N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide?
N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide is sourced from PubChem (CID 6481807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).