1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine

C16H22ClN3O — CID 106556095

IUPAC1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H22ClN3O/c1-5-6-7-20-10-12(3)18-16(20)19-14-8-11(2)13(17)9-15(14)21-4/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyWUAUYLDEKPLNJI-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.71
Rot. Bonds6

About 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine

1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106556095) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106556095
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H22ClN3O/c1-5-6-7-20-10-12(3)18-16(20)19-14-8-11(2)13(17)9-15(14)21-4/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyWUAUYLDEKPLNJI-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
CID 106564087
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864177

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine (CID 106556095) is 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is WUAUYLDEKPLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-5-6-7-20-10-12(3)18-16(20)19-14-8-11(2)13(17)9-15(14)21-4/h8-10H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 307.83 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106556095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).