5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole

C29H38N6 — CID 91183056

IUPAC5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESCCCC1CC(c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)CC=C1c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C29H38N6/c1-2-5-22-16-21(12-13-23(22)27-18-33-29(35-27)25-7-4-15-31-25)19-8-10-20(11-9-19)26-17-32-28(34-26)24-6-3-14-30-24/h8-11,13,17-18,21-22,24-25,30-31H,2-7,12,14-16H2,1H3,(H,32,34)(H,33,35)
InChIKeySYDSLNSSYIJABW-UHFFFAOYSA-N
MW470.67 g/mol
LogP6.03
Rot. Bonds7

About 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole

5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 91183056) has the molecular formula C29H38N6 and a molecular weight of 470.67 g/mol. Its IUPAC name is 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID91183056
Molecular FormulaC29H38N6
Molecular Weight470.67 g/mol
Exact Mass470.32
IUPAC Name5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESCCCC1CC(c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)CC=C1c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C29H38N6/c1-2-5-22-16-21(12-13-23(22)27-18-33-29(35-27)25-7-4-15-31-25)19-8-10-20(11-9-19)26-17-32-28(34-26)24-6-3-14-30-24/h8-11,13,17-18,21-22,24-25,30-31H,2-7,12,14-16H2,1H3,(H,32,34)(H,33,35)
InChIKeySYDSLNSSYIJABW-UHFFFAOYSA-N
XLogP6.03
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.67
LogP ≤ 56.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole (CID 91183056) is 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole is CCCC1CC(c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)CC=C1c1cnc(C2CCCN2)[nH]1.
What is the InChIKey of 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is SYDSLNSSYIJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6/c1-2-5-22-16-21(12-13-23(22)27-18-33-29(35-27)25-7-4-15-31-25)19-8-10-20(11-9-19)26-17-32-28(34-26)24-6-3-14-30-24/h8-11,13,17-18,21-22,24-25,30-31H,2-7,12,14-16H2,1H3,(H,32,34)(H,33,35).
What are the key properties of 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole?
5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 470.67 g/mol, XLogP of 6.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 91183056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).