N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C16H22ClN3O — CID 106565787

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-11-9-20(12(2)10-21-4)16(18-11)19-13(3)14-5-7-15(17)8-6-14/h5-9,12-13H,10H2,1-4H3,(H,18,19)
InChIKeyYJQFGWJQSFIAHA-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.23
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106565787) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106565787
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-11-9-20(12(2)10-21-4)16(18-11)19-13(3)14-5-7-15(17)8-6-14/h5-9,12-13H,10H2,1-4H3,(H,18,19)
InChIKeyYJQFGWJQSFIAHA-UHFFFAOYSA-N
XLogP4.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564571
1-(1-methoxypropan-2-yl)-4-methyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567416
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557337
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106565809
N-(2-chloro-6-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582325
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106565787) is N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is YJQFGWJQSFIAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11-9-20(12(2)10-21-4)16(18-11)19-13(3)14-5-7-15(17)8-6-14/h5-9,12-13H,10H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 307.83 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106565787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).