1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine

C14H19N3O — CID 106554623

IUPAC1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCOc1ccc(-n2ccnc2NCC(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)10-16-14-15-8-9-17(14)12-4-6-13(18-3)7-5-12/h4-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyUSYDMWWFXRFUCZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.95
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine

1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106554623) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106554623
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCOc1ccc(-n2ccnc2NCC(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)10-16-14-15-8-9-17(14)12-4-6-13(18-3)7-5-12/h4-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyUSYDMWWFXRFUCZ-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172687865
CID 172687865
1-(2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106560588
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572
1-(2-fluoro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 114254445
N-(2-methylpropyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106575920
N-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569632
1-(3-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106564075
1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 114250877
1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106559705
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylimidazol-2-amine
CID 106565449
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine (CID 106554623) is 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine is COc1ccc(-n2ccnc2NCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is USYDMWWFXRFUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)10-16-14-15-8-9-17(14)12-4-6-13(18-3)7-5-12/h4-9,11H,10H2,1-3H3,(H,15,16).
What are the key properties of 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine?
1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106554623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).