3-butyl-5-methyl-1,2-dihydroimidazole

C8H16N2 — CID 66752008

IUPAC3-butyl-5-methyl-1,2-dihydroimidazole
SMILESCCCCN1C=C(C)NC1
InChIInChI=1S/C8H16N2/c1-3-4-5-10-6-8(2)9-7-10/h6,9H,3-5,7H2,1-2H3
InChIKeyWDRQJHJOXMQOTH-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.51
Rot. Bonds3

About 3-butyl-5-methyl-1,2-dihydroimidazole

3-butyl-5-methyl-1,2-dihydroimidazole (PubChem CID 66752008) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-butyl-5-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-butyl-5-methyl-1,2-dihydroimidazole
PubChem CID66752008
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-butyl-5-methyl-1,2-dihydroimidazole
SMILESCCCCN1C=C(C)NC1
InChIInChI=1S/C8H16N2/c1-3-4-5-10-6-8(2)9-7-10/h6,9H,3-5,7H2,1-2H3
InChIKeyWDRQJHJOXMQOTH-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methyl-2,3-dihydro-1H-imidazol-5-yl)ethanamine
CID 44267952
1H-Imidazolium, 1-butyl-3-methyl-, bromide
CID 53249772
1H-Imidazolium, 1-butyl-3-methyl-, chloride
CID 66823030
2,2,3-trideuterio-5-methyl-1H-imidazole
CID 169087639
4-methyl-2,3-dihydro-1H-imidazole
CID 3015150
3-Butyl-2-methyl-1,2-dihydroimidazole
CID 17962990
2,4-dimethyl-2,3-dihydro-1H-imidazole
CID 18722279
N-hexyl-4-methyl-2,3-dihydro-1H-imidazol-2-amine
CID 20346436
2-Ethyl-3,5-dimethyl-1,2-dihydroimidazole
CID 21549861
3-butyl-1,4-dimethyl-2H-imidazole
CID 23065764
4-ethyl-2,3-dihydro-1H-imidazole
CID 53631548
3-butyl-1,2,4-trimethyl-2H-imidazole
CID 57306164

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyl-1,2-dihydroimidazole?
The IUPAC name of 3-butyl-5-methyl-1,2-dihydroimidazole (CID 66752008) is 3-butyl-5-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-butyl-5-methyl-1,2-dihydroimidazole?
The canonical SMILES for 3-butyl-5-methyl-1,2-dihydroimidazole is CCCCN1C=C(C)NC1.
What is the InChIKey of 3-butyl-5-methyl-1,2-dihydroimidazole?
The InChIKey is WDRQJHJOXMQOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-10-6-8(2)9-7-10/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 3-butyl-5-methyl-1,2-dihydroimidazole?
3-butyl-5-methyl-1,2-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 66752008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).