4-butyl-1,3-dimethyl-2H-imidazole

C9H18N2 — CID 174855096

IUPAC4-butyl-1,3-dimethyl-2H-imidazole
SMILESCCCCC1=CN(C)CN1C
InChIInChI=1S/C9H18N2/c1-4-5-6-9-7-10(2)8-11(9)3/h7H,4-6,8H2,1-3H3
InChIKeyLRZRBHLMJQMIGQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.85
Rot. Bonds3

About 4-butyl-1,3-dimethyl-2H-imidazole

4-butyl-1,3-dimethyl-2H-imidazole (PubChem CID 174855096) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-butyl-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name4-butyl-1,3-dimethyl-2H-imidazole
PubChem CID174855096
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-butyl-1,3-dimethyl-2H-imidazole
SMILESCCCCC1=CN(C)CN1C
InChIInChI=1S/C9H18N2/c1-4-5-6-9-7-10(2)8-11(9)3/h7H,4-6,8H2,1-3H3
InChIKeyLRZRBHLMJQMIGQ-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4-triethyl-2-methyl-2H-imidazole
CID 21977213
3,4-diethyl-1-methyl-2H-imidazole
CID 21977214
4-ethyl-1,3-dimethyl-2H-imidazole
CID 21977230
1,4-diethyl-3-methyl-2H-imidazole
CID 21977233
1,4-diethyl-2,3-dimethyl-2H-imidazole
CID 21977240
2,4-diethyl-1,3-dimethyl-2H-imidazole
CID 21977248
2,3,4-triethyl-1-methyl-2H-imidazole
CID 21977269
1,2,3,4-tetraethyl-2H-imidazole
CID 21977287
3,4-diethyl-1,2-dimethyl-2H-imidazole
CID 21977314
1,3,4-triethyl-2H-imidazole
CID 21977318
1,2,4-triethyl-3-methyl-2H-imidazole
CID 21977349
4-ethyl-1,2,3-trimethyl-2H-imidazole
CID 21977350

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3-dimethyl-2H-imidazole?
The IUPAC name of 4-butyl-1,3-dimethyl-2H-imidazole (CID 174855096) is 4-butyl-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 4-butyl-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 4-butyl-1,3-dimethyl-2H-imidazole is CCCCC1=CN(C)CN1C.
What is the InChIKey of 4-butyl-1,3-dimethyl-2H-imidazole?
The InChIKey is LRZRBHLMJQMIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-9-7-10(2)8-11(9)3/h7H,4-6,8H2,1-3H3.
What are the key properties of 4-butyl-1,3-dimethyl-2H-imidazole?
4-butyl-1,3-dimethyl-2H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 174855096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).