4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol

C32H38ClN3O2 — CID 69326266

IUPAC4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol
SMILESCCCCN(Cc1ccc(O)cc1Cl)Cc1c(-c2ccccc2OC)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C32H38ClN3O2/c1-4-6-19-35(22-25-17-18-26(37)21-28(25)33)23-29-31(27-15-11-12-16-30(27)38-3)34-32(36(29)20-7-5-2)24-13-9-8-10-14-24/h8-18,21,37H,4-7,19-20,22-23H2,1-3H3
InChIKeyPLYQSRZEGIVCLM-UHFFFAOYSA-N
MW532.13 g/mol
LogP8.19
Rot. Bonds13

About 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol

4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol (PubChem CID 69326266) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol.

Molecular Properties

Compound Name4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol
PubChem CID69326266
Molecular FormulaC32H38ClN3O2
Molecular Weight532.13 g/mol
Exact Mass531.27
IUPAC Name4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol
SMILESCCCCN(Cc1ccc(O)cc1Cl)Cc1c(-c2ccccc2OC)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C32H38ClN3O2/c1-4-6-19-35(22-25-17-18-26(37)21-28(25)33)23-29-31(27-15-11-12-16-30(27)38-3)34-32(36(29)20-7-5-2)24-13-9-8-10-14-24/h8-18,21,37H,4-7,19-20,22-23H2,1-3H3
InChIKeyPLYQSRZEGIVCLM-UHFFFAOYSA-N
XLogP8.19
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol?
The IUPAC name of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol (CID 69326266) is 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol.
What is the SMILES notation for 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol?
The canonical SMILES for 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol is CCCCN(Cc1ccc(O)cc1Cl)Cc1c(-c2ccccc2OC)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol?
The InChIKey is PLYQSRZEGIVCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-4-6-19-35(22-25-17-18-26(37)21-28(25)33)23-29-31(27-15-11-12-16-30(27)38-3)34-32(36(29)20-7-5-2)24-13-9-8-10-14-24/h8-18,21,37H,4-7,19-20,22-23H2,1-3H3.
What are the key properties of 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol?
4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol has a molecular weight of 532.13 g/mol, XLogP of 8.19, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol is sourced from PubChem (CID 69326266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).