4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C27H23N5O — CID 10526792

IUPAC4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)n2)cc1
InChIInChI=1S/C27H23N5O/c1-33-22-14-12-19(13-15-22)18-29-27-28-17-16-23(30-27)25-24(20-8-4-2-5-9-20)31-26(32-25)21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyYLSFSAKXSQLGSF-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.82
Rot. Bonds7

About 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 10526792) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID10526792
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)n2)cc1
InChIInChI=1S/C27H23N5O/c1-33-22-14-12-19(13-15-22)18-29-27-28-17-16-23(30-27)25-24(20-8-4-2-5-9-20)31-26(32-25)21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyYLSFSAKXSQLGSF-UHFFFAOYSA-N
XLogP5.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 10526792) is 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is YLSFSAKXSQLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-33-22-14-12-19(13-15-22)18-29-27-28-17-16-23(30-27)25-24(20-8-4-2-5-9-20)31-26(32-25)21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 433.52 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diphenyl-1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 10526792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).