1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole

C23H40N2 — CID 123567763

IUPAC1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole
SMILESCCCCC1=CC(N2C=CN(C)C2C(C)(CC)CC)=C(CCC)CC1
InChIInChI=1S/C23H40N2/c1-7-11-13-19-14-15-20(12-8-2)21(18-19)25-17-16-24(6)22(25)23(5,9-3)10-4/h16-18,22H,7-15H2,1-6H3
InChIKeyFHOYLTGCSUENCH-UHFFFAOYSA-N
MW344.59 g/mol
LogP6.82
Rot. Bonds9

About 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole

1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole (PubChem CID 123567763) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole.

Molecular Properties

Compound Name1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole
PubChem CID123567763
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole
SMILESCCCCC1=CC(N2C=CN(C)C2C(C)(CC)CC)=C(CCC)CC1
InChIInChI=1S/C23H40N2/c1-7-11-13-19-14-15-20(12-8-2)21(18-19)25-17-16-24(6)22(25)23(5,9-3)10-4/h16-18,22H,7-15H2,1-6H3
InChIKeyFHOYLTGCSUENCH-UHFFFAOYSA-N
XLogP6.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole?
The IUPAC name of 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole (CID 123567763) is 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole.
What is the SMILES notation for 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole?
The canonical SMILES for 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole is CCCCC1=CC(N2C=CN(C)C2C(C)(CC)CC)=C(CCC)CC1.
What is the InChIKey of 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole?
The InChIKey is FHOYLTGCSUENCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-7-11-13-19-14-15-20(12-8-2)21(18-19)25-17-16-24(6)22(25)23(5,9-3)10-4/h16-18,22H,7-15H2,1-6H3.
What are the key properties of 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole?
1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole has a molecular weight of 344.59 g/mol, XLogP of 6.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole is sourced from PubChem (CID 123567763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).