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

C16H23N3O — CID 106557792

IUPAC1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(C)ccc1OC
InChIInChI=1S/C16H23N3O/c1-5-6-9-19-11-13(3)17-16(19)18-14-10-12(2)7-8-15(14)20-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyXRRCUAXCTNUKFU-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.05
Rot. Bonds6

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

1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106557792) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106557792
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(C)ccc1OC
InChIInChI=1S/C16H23N3O/c1-5-6-9-19-11-13(3)17-16(19)18-14-10-12(2)7-8-15(14)20-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyXRRCUAXCTNUKFU-UHFFFAOYSA-N
XLogP4.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106569054
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569082
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
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
2-N-butyl-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908400
N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine (CID 106557792) is 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1cc(C)ccc1OC.
What is the InChIKey of 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is XRRCUAXCTNUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-6-9-19-11-13(3)17-16(19)18-14-10-12(2)7-8-15(14)20-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106557792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).