1-(3,6-dimethylheptyl)imidazole

C12H22N2 — CID 143241697

IUPAC1-(3,6-dimethylheptyl)imidazole
SMILESCC(C)CCC(C)CCn1ccnc1
InChIInChI=1S/C12H22N2/c1-11(2)4-5-12(3)6-8-14-9-7-13-10-14/h7,9-12H,4-6,8H2,1-3H3
InChIKeyVWCWFHGAMKQHAL-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.35
Rot. Bonds6

About 1-(3,6-dimethylheptyl)imidazole

1-(3,6-dimethylheptyl)imidazole (PubChem CID 143241697) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(3,6-dimethylheptyl)imidazole.

Molecular Properties

Compound Name1-(3,6-dimethylheptyl)imidazole
PubChem CID143241697
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(3,6-dimethylheptyl)imidazole
SMILESCC(C)CCC(C)CCn1ccnc1
InChIInChI=1S/C12H22N2/c1-11(2)4-5-12(3)6-8-14-9-7-13-10-14/h7,9-12H,4-6,8H2,1-3H3
InChIKeyVWCWFHGAMKQHAL-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,6-dimethylheptyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-methyloctyl)imidazole
CID 59001100
carbonic acid;1-(3-methylpentyl)imidazole
CID 175400753
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409
1-[5-imidazol-1-yl-3-(iodomethyl)pentyl]imidazole
CID 174988000
1-(2-methoxyethyl)imidazole
CID 14366840
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
1-(2-methylbutyl)imidazole
CID 59161437
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203438
4-(2-imidazol-1-ylethylsulfanyl)butan-2-amine
CID 66234833
[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine
CID 174861724

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylheptyl)imidazole?
The IUPAC name of 1-(3,6-dimethylheptyl)imidazole (CID 143241697) is 1-(3,6-dimethylheptyl)imidazole.
What is the SMILES notation for 1-(3,6-dimethylheptyl)imidazole?
The canonical SMILES for 1-(3,6-dimethylheptyl)imidazole is CC(C)CCC(C)CCn1ccnc1.
What is the InChIKey of 1-(3,6-dimethylheptyl)imidazole?
The InChIKey is VWCWFHGAMKQHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)4-5-12(3)6-8-14-9-7-13-10-14/h7,9-12H,4-6,8H2,1-3H3.
What are the key properties of 1-(3,6-dimethylheptyl)imidazole?
1-(3,6-dimethylheptyl)imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylheptyl)imidazole is sourced from PubChem (CID 143241697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).