4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole

C14H28N2 — CID 66660670

IUPAC4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole
SMILESCCCC(CC(C)CC1=CNCN1)C(C)C
InChIInChI=1S/C14H28N2/c1-5-6-13(11(2)3)7-12(4)8-14-9-15-10-16-14/h9,11-13,15-16H,5-8,10H2,1-4H3
InChIKeyUXHLVBWSRWXJMQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.47
Rot. Bonds7

About 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole

4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole (PubChem CID 66660670) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole
PubChem CID66660670
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole
SMILESCCCC(CC(C)CC1=CNCN1)C(C)C
InChIInChI=1S/C14H28N2/c1-5-6-13(11(2)3)7-12(4)8-14-9-15-10-16-14/h9,11-13,15-16H,5-8,10H2,1-4H3
InChIKeyUXHLVBWSRWXJMQ-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole (CID 66660670) is 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole is CCCC(CC(C)CC1=CNCN1)C(C)C.
What is the InChIKey of 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole?
The InChIKey is UXHLVBWSRWXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-13(11(2)3)7-12(4)8-14-9-15-10-16-14/h9,11-13,15-16H,5-8,10H2,1-4H3.
What are the key properties of 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole?
4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-propan-2-ylheptyl)-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 66660670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).