5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine

C27H30N4O — CID 141128119

IUPAC5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)cc1C1CCCC1
InChIInChI=1S/C27H30N4O/c1-31-18-27(30-26(31)28,22-11-5-9-20(15-22)21-10-6-14-29-17-21)23-12-13-25(32-2)24(16-23)19-7-3-4-8-19/h5-6,9-17,19H,3-4,7-8,18H2,1-2H3,(H2,28,30)
InChIKeyKWUCCESLZDIQAJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.92
Rot. Bonds5

About 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine

5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine (PubChem CID 141128119) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
PubChem CID141128119
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)cc1C1CCCC1
InChIInChI=1S/C27H30N4O/c1-31-18-27(30-26(31)28,22-11-5-9-20(15-22)21-10-6-14-29-17-21)23-12-13-25(32-2)24(16-23)19-7-3-4-8-19/h5-6,9-17,19H,3-4,7-8,18H2,1-2H3,(H2,28,30)
InChIKeyKWUCCESLZDIQAJ-UHFFFAOYSA-N
XLogP4.92
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128116
5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128107
5-(2-fluoro-5-pyridin-3-ylphenyl)-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 69301033
5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141178336
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
1-[3-[3-(2-amino-3-methyl-5-phenyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone
CID 141178360
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347084
(4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one
CID 91282038
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine (CID 141128119) is 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine is COc1ccc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)cc1C1CCCC1.
What is the InChIKey of 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The InChIKey is KWUCCESLZDIQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-31-18-27(30-26(31)28,22-11-5-9-20(15-22)21-10-6-14-29-17-21)23-12-13-25(32-2)24(16-23)19-7-3-4-8-19/h5-6,9-17,19H,3-4,7-8,18H2,1-2H3,(H2,28,30).
What are the key properties of 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine has a molecular weight of 426.56 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 141128119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).