N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

C18H27ClN4O2 — CID 135118869

IUPACN'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(Cl)cc(CN(CCN(C)C)Cc2nc[nH]c2C)c1OC
InChIInChI=1S/C18H27ClN4O2/c1-13-16(21-12-20-13)11-23(7-6-22(2)3)10-14-8-15(19)9-17(24-4)18(14)25-5/h8-9,12H,6-7,10-11H2,1-5H3,(H,20,21)
InChIKeyUWBZLCUQHFYURW-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.95
Rot. Bonds9

About N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 135118869) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID135118869
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(Cl)cc(CN(CCN(C)C)Cc2nc[nH]c2C)c1OC
InChIInChI=1S/C18H27ClN4O2/c1-13-16(21-12-20-13)11-23(7-6-22(2)3)10-14-8-15(19)9-17(24-4)18(14)25-5/h8-9,12H,6-7,10-11H2,1-5H3,(H,20,21)
InChIKeyUWBZLCUQHFYURW-UHFFFAOYSA-N
XLogP2.95
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135102174
N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135088110
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62749035
1-(5-chloro-2,3-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
CID 3088210
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine
CID 77092875
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
CID 135092513
(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95126134
1-[5-chloro-2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]butan-2-amine
CID 114526354
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 16677828
N'-[(4-fluoro-2-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(2-methyl-1H-imidazol-5-yl)methyl]ethane-1,2-diamine
CID 135097116

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 135118869) is N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is COc1cc(Cl)cc(CN(CCN(C)C)Cc2nc[nH]c2C)c1OC.
What is the InChIKey of N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is UWBZLCUQHFYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-13-16(21-12-20-13)11-23(7-6-22(2)3)10-14-8-15(19)9-17(24-4)18(14)25-5/h8-9,12H,6-7,10-11H2,1-5H3,(H,20,21).
What are the key properties of N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 366.89 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 135118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).