N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine

C26H23N5O — CID 92535647

IUPACN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
SMILESCOc1cccc([C@@H](Nc2nc(-c3ccccc3)nc3ccccc23)c2nccn2C)c1
InChIInChI=1S/C26H23N5O/c1-31-16-15-27-26(31)23(19-11-8-12-20(17-19)32-2)29-25-21-13-6-7-14-22(21)28-24(30-25)18-9-4-3-5-10-18/h3-17,23H,1-2H3,(H,28,29,30)/t23-/m1/s1
InChIKeyVEJHQXKFWDIMLH-HSZRJFAPSA-N
MW421.50 g/mol
LogP5.24
Rot. Bonds6

About N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine

N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine (PubChem CID 92535647) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
PubChem CID92535647
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC NameN-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
SMILESCOc1cccc([C@@H](Nc2nc(-c3ccccc3)nc3ccccc23)c2nccn2C)c1
InChIInChI=1S/C26H23N5O/c1-31-16-15-27-26(31)23(19-11-8-12-20(17-19)32-2)29-25-21-13-6-7-14-22(21)28-24(30-25)18-9-4-3-5-10-18/h3-17,23H,1-2H3,(H,28,29,30)/t23-/m1/s1
InChIKeyVEJHQXKFWDIMLH-HSZRJFAPSA-N
XLogP5.24
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
CID 24541703
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 131963630
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17396876
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467708

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine (CID 92535647) is N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine is COc1cccc([C@@H](Nc2nc(-c3ccccc3)nc3ccccc23)c2nccn2C)c1.
What is the InChIKey of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine?
The InChIKey is VEJHQXKFWDIMLH-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23N5O/c1-31-16-15-27-26(31)23(19-11-8-12-20(17-19)32-2)29-25-21-13-6-7-14-22(21)28-24(30-25)18-9-4-3-5-10-18/h3-17,23H,1-2H3,(H,28,29,30)/t23-/m1/s1.
What are the key properties of N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine?
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine has a molecular weight of 421.50 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 92535647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).