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

C22H21ClN4O — CID 141128116

IUPAC5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)cc1Cl
InChIInChI=1S/C22H21ClN4O/c1-27-14-22(26-21(27)24,18-8-9-20(28-2)19(23)12-18)17-7-3-5-15(11-17)16-6-4-10-25-13-16/h3-13H,14H2,1-2H3,(H2,24,26)
InChIKeyRNSOSMHJOVULHP-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.91
Rot. Bonds4

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

5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine (PubChem CID 141128116) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
PubChem CID141128116
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)cc1Cl
InChIInChI=1S/C22H21ClN4O/c1-27-14-22(26-21(27)24,18-8-9-20(28-2)19(23)12-18)17-7-3-5-15(11-17)16-6-4-10-25-13-16/h3-13H,14H2,1-2H3,(H2,24,26)
InChIKeyRNSOSMHJOVULHP-UHFFFAOYSA-N
XLogP3.91
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyclopentyl-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128119
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-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083
formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347084
5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141215323
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 70126180

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine (CID 141128116) is 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine is COc1ccc(C2(c3cccc(-c4cccnc4)c3)CN(C)C(N)=N2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
The InChIKey is RNSOSMHJOVULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-27-14-22(26-21(27)24,18-8-9-20(28-2)19(23)12-18)17-7-3-5-15(11-17)16-6-4-10-25-13-16/h3-13H,14H2,1-2H3,(H2,24,26).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine?
5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine has a molecular weight of 392.89 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 141128116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).