N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

C17H24F2N4O — CID 135102174

IUPACN'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(F)c(CN(CCN(C)C)Cc2nc[nH]c2C)c(F)c1
InChIInChI=1S/C17H24F2N4O/c1-12-17(21-11-20-12)10-23(6-5-22(2)3)9-14-15(18)7-13(24-4)8-16(14)19/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21)
InChIKeyZOOYTWFALCQLAG-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.57
Rot. Bonds8

About N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 135102174) has the molecular formula C17H24F2N4O and a molecular weight of 338.40 g/mol. Its IUPAC name is N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID135102174
Molecular FormulaC17H24F2N4O
Molecular Weight338.40 g/mol
Exact Mass338.19
IUPAC NameN'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCOc1cc(F)c(CN(CCN(C)C)Cc2nc[nH]c2C)c(F)c1
InChIInChI=1S/C17H24F2N4O/c1-12-17(21-11-20-12)10-23(6-5-22(2)3)9-14-15(18)7-13(24-4)8-16(14)19/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21)
InChIKeyZOOYTWFALCQLAG-UHFFFAOYSA-N
XLogP2.57
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135118869
N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135087538
2-[4-chloro-2-[[2-(dimethylamino)ethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]phenoxy]acetic acid
CID 135087478
N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135088110
3-fluoro-5-methoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 114262750
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135120852
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135098097
N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135101772
4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline
CID 90115310
N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine
CID 62743967
N-ethyl-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]prop-2-en-1-amine
CID 2845704
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 135102174) is N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is COc1cc(F)c(CN(CCN(C)C)Cc2nc[nH]c2C)c(F)c1.
What is the InChIKey of N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is ZOOYTWFALCQLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O/c1-12-17(21-11-20-12)10-23(6-5-22(2)3)9-14-15(18)7-13(24-4)8-16(14)19/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21).
What are the key properties of N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 338.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 135102174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).