N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine

C22H32N6 — CID 123743795

IUPACN-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CCc2ccc(-c3cnc(CNCCC)[nH]3)cc2)[nH]1
InChIInChI=1S/C22H32N6/c1-3-11-23-15-21-25-13-19(27-21)10-7-17-5-8-18(9-6-17)20-14-26-22(28-20)16-24-12-4-2/h5-6,8-9,13-14,23-24H,3-4,7,10-12,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLCGXYKYCOQWTDD-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.58
Rot. Bonds12

About N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine

N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine (PubChem CID 123743795) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
PubChem CID123743795
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC NameN-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CCc2ccc(-c3cnc(CNCCC)[nH]3)cc2)[nH]1
InChIInChI=1S/C22H32N6/c1-3-11-23-15-21-25-13-19(27-21)10-7-17-5-8-18(9-6-17)20-14-26-22(28-20)16-24-12-4-2/h5-6,8-9,13-14,23-24H,3-4,7,10-12,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLCGXYKYCOQWTDD-UHFFFAOYSA-N
XLogP3.58
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
CID 143848512
N-[[5-[4-(5-bromothiophen-2-yl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 130415020
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587
N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877297
N-[[2-[(3,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109166
N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine
CID 114079740
4-methoxy-N-propyl-N-[[5-[4-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide
CID 143630244
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
2-(dimethylamino)-N-[[5-[2-[4-[2-[[[2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide
CID 123698209
N-[[5-[6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5,7-dihydrobenzo[d][2]benzazepin-9-yl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 130415094
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
N-[[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzoxazol-2-yl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 138604818

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine (CID 123743795) is N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(CCc2ccc(-c3cnc(CNCCC)[nH]3)cc2)[nH]1.
What is the InChIKey of N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is LCGXYKYCOQWTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-3-11-23-15-21-25-13-19(27-21)10-7-17-5-8-18(9-6-17)20-14-26-22(28-20)16-24-12-4-2/h5-6,8-9,13-14,23-24H,3-4,7,10-12,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine?
N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 380.54 g/mol, XLogP of 3.58, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 123743795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).