N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine

C33H39N3O2 — CID 69325821

About N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine (PubChem CID 69325821) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine.

Molecular Properties

• Compound Name: N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine
• PubChem CID: 69325821
• Molecular Formula: C33H39N3O2
• Molecular Weight: 509.69 g/mol
• Exact Mass: 509.30
• IUPAC Name: N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine
• SMILES: CCCCn1c(CN(CC=Cc2cc(OC)cc(OC)c2)CCc2ccccc2)cnc1-c1ccccc1
• InChI: InChI=1S/C33H39N3O2/c1-4-5-20-36-30(25-34-33(36)29-16-10-7-11-17-29)26-35(21-18-27-13-8-6-9-14-27)19-12-15-28-22-31(37-2)24-32(23-28)38-3/h6-17,22-25H,4-5,18-21,26H2,1-3H3
• InChIKey: DOTGMTUMLIJTLB-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 39.52 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.69
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine?

The IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine (CID 69325821) is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine.

What is the SMILES notation for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine?

The canonical SMILES for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine is CCCCn1c(CN(CC=Cc2cc(OC)cc(OC)c2)CCc2ccccc2)cnc1-c1ccccc1.

What is the InChIKey of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine?

The InChIKey is DOTGMTUMLIJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O2/c1-4-5-20-36-30(25-34-33(36)29-16-10-7-11-17-29)26-35(21-18-27-13-8-6-9-14-27)19-12-15-28-22-31(37-2)24-32(23-28)38-3/h6-17,22-25H,4-5,18-21,26H2,1-3H3.

What are the key properties of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine?

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine has a molecular weight of 509.69 g/mol, XLogP of 7.13, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine is sourced from PubChem (CID 69325821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).