N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide

C22H26N4O — CID 119869593

IUPACN-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C22H26N4O/c1-23-12-4-7-22(27)25-15-20-5-2-3-6-21(20)19-10-8-18(9-11-19)16-26-14-13-24-17-26/h2-3,5-6,8-11,13-14,17,23H,4,7,12,15-16H2,1H3,(H,25,27)
InChIKeyHKOYQFIBWNFXKN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.21
Rot. Bonds9

About N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide

N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide (PubChem CID 119869593) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
PubChem CID119869593
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C22H26N4O/c1-23-12-4-7-22(27)25-15-20-5-2-3-6-21(20)19-10-8-18(9-11-19)16-26-14-13-24-17-26/h2-3,5-6,8-11,13-14,17,23H,4,7,12,15-16H2,1H3,(H,25,27)
InChIKeyHKOYQFIBWNFXKN-UHFFFAOYSA-N
XLogP3.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.21
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

N-[3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylcarbamoyl-methylamino]propyl]acetamide
CID 86969974
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974792
3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol
CID 167977937
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978036
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
CID 47027170
1-[(3-fluorophenyl)methyl]-3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-2-methylguanidine
CID 111877411
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519
1-ethyl-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111225934
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
1-tert-butyl-3-ethyl-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]guanidine;hydroiodide
CID 110965621
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111251598
1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 119114943

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide (CID 119869593) is N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide?
The InChIKey is HKOYQFIBWNFXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-23-12-4-7-22(27)25-15-20-5-2-3-6-21(20)19-10-8-18(9-11-19)16-26-14-13-24-17-26/h2-3,5-6,8-11,13-14,17,23H,4,7,12,15-16H2,1H3,(H,25,27).
What are the key properties of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide?
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide has a molecular weight of 362.48 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119869593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).