N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

C26H27ClN4 — CID 67595540

IUPACN-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(CN(C)Cc2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)c(C)c1
InChIInChI=1S/C26H27ClN4/c1-17-13-18(2)23(19(3)14-17)15-31(4)16-24-29-25(20-5-7-22(27)8-6-20)26(30-24)21-9-11-28-12-10-21/h5-14H,15-16H2,1-4H3,(H,29,30)
InChIKeyQIWHQZPLYYCSNP-UHFFFAOYSA-N
MW430.98 g/mol
LogP6.35
Rot. Bonds6

About N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 67595540) has the molecular formula C26H27ClN4 and a molecular weight of 430.98 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID67595540
Molecular FormulaC26H27ClN4
Molecular Weight430.98 g/mol
Exact Mass430.19
IUPAC NameN-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(CN(C)Cc2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)c(C)c1
InChIInChI=1S/C26H27ClN4/c1-17-13-18(2)23(19(3)14-17)15-31(4)16-24-29-25(20-5-7-22(27)8-6-20)26(30-24)21-9-11-28-12-10-21/h5-14H,15-16H2,1-4H3,(H,29,30)
InChIKeyQIWHQZPLYYCSNP-UHFFFAOYSA-N
XLogP6.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (CID 67595540) is N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(CN(C)Cc2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)c(C)c1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is QIWHQZPLYYCSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4/c1-17-13-18(2)23(19(3)14-17)15-31(4)16-24-29-25(20-5-7-22(27)8-6-20)26(30-24)21-9-11-28-12-10-21/h5-14H,15-16H2,1-4H3,(H,29,30).
What are the key properties of N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 430.98 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]methyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 67595540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).