5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole

C22H42N2 — CID 66722987

IUPAC5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)C(C)C
InChIInChI=1S/C22H42N2/c1-10-13-14-15-21(7,8)19-18(17(6)16(4)5)23-20(24-19)22(9,11-2)12-3/h16-17H,10-15H2,1-9H3,(H,23,24)
InChIKeyAKKDAQOAGNLAKS-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.10
Rot. Bonds10

About 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole

5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole (PubChem CID 66722987) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
PubChem CID66722987
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)C(C)C
InChIInChI=1S/C22H42N2/c1-10-13-14-15-21(7,8)19-18(17(6)16(4)5)23-20(24-19)22(9,11-2)12-3/h16-17H,10-15H2,1-9H3,(H,23,24)
InChIKeyAKKDAQOAGNLAKS-UHFFFAOYSA-N
XLogP7.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole with MolForge

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Related Compounds

4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308
5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole
CID 66723353
2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
CID 66723113
5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 159059126
4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66723143
5-(3-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723031
4-tert-butyl-2-(2-methylheptan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 162062572
5-(2-methylbutan-2-yl)-2,4-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722905
2-(2-methylheptan-2-yl)-4-(2-methylhexan-2-yl)-5-propyl-1H-imidazole
CID 89497192
5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
CID 152581875
2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
CID 66723300
4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
CID 66723108

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
The IUPAC name of 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole (CID 66722987) is 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
The canonical SMILES for 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole is CCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)C(C)C.
What is the InChIKey of 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
The InChIKey is AKKDAQOAGNLAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-10-13-14-15-21(7,8)19-18(17(6)16(4)5)23-20(24-19)22(9,11-2)12-3/h16-17H,10-15H2,1-9H3,(H,23,24).
What are the key properties of 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole has a molecular weight of 334.59 g/mol, XLogP of 7.10, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole is sourced from PubChem (CID 66722987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).