[(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride

C34H46Cl2N4O3 — CID 162337516

About [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride

[(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 162337516) has the molecular formula C34H46Cl2N4O3 and a molecular weight of 629.67 g/mol. Its IUPAC name is [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
• PubChem CID: 162337516
• Molecular Formula: C34H46Cl2N4O3
• Molecular Weight: 629.67 g/mol
• Exact Mass: 628.29
• IUPAC Name: [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
• SMILES: CCOc1cc(OC)ccc1C1=N[C@H](C2CCCCC2)[C@H](c2ccc(Cl)cc2)N1C(=O)N1CCC(N2CCCC2)CC1.Cl
• InChI: InChI=1S/C34H45ClN4O3.ClH/c1-3-42-30-23-28(41-2)15-16-29(30)33-36-31(24-9-5-4-6-10-24)32(25-11-13-26(35)14-12-25)39(33)34(40)38-21-17-27(18-22-38)37-19-7-8-20-37;/h11-16,23-24,27,31-32H,3-10,17-22H2,1-2H3;1H/t31-,32+;/m1./s1
• InChIKey: FUYNIUUYZHIDNH-QMDRZIQZSA-N
• XLogP: 7.60
• TPSA: 57.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.67
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

The IUPAC name of [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride (CID 162337516) is [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride.

What is the SMILES notation for [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

The canonical SMILES for [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride is CCOc1cc(OC)ccc1C1=N[C@H](C2CCCCC2)[C@H](c2ccc(Cl)cc2)N1C(=O)N1CCC(N2CCCC2)CC1.Cl.

What is the InChIKey of [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

The InChIKey is FUYNIUUYZHIDNH-QMDRZIQZSA-N. The full InChI is InChI=1S/C34H45ClN4O3.ClH/c1-3-42-30-23-28(41-2)15-16-29(30)33-36-31(24-9-5-4-6-10-24)32(25-11-13-26(35)14-12-25)39(33)34(40)38-21-17-27(18-22-38)37-19-7-8-20-37;/h11-16,23-24,27,31-32H,3-10,17-22H2,1-2H3;1H/t31-,32+;/m1./s1.

What are the key properties of [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

[(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 629.67 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 162337516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).