1-(2-ethyl-3-methylbutyl)imidazole

C10H18N2 — CID 170019524

IUPAC1-(2-ethyl-3-methylbutyl)imidazole
SMILESCCC(Cn1ccnc1)C(C)C
InChIInChI=1S/C10H18N2/c1-4-10(9(2)3)7-12-6-5-11-8-12/h5-6,8-10H,4,7H2,1-3H3
InChIKeyTZYCSQNFRJKMKT-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-ethyl-3-methylbutyl)imidazole

1-(2-ethyl-3-methylbutyl)imidazole (PubChem CID 170019524) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(2-ethyl-3-methylbutyl)imidazole.

Molecular Properties

Compound Name1-(2-ethyl-3-methylbutyl)imidazole
PubChem CID170019524
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(2-ethyl-3-methylbutyl)imidazole
SMILESCCC(Cn1ccnc1)C(C)C
InChIInChI=1S/C10H18N2/c1-4-10(9(2)3)7-12-6-5-11-8-12/h5-6,8-10H,4,7H2,1-3H3
InChIKeyTZYCSQNFRJKMKT-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)imidazole
CID 59161437
1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441820
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol
CID 141049250
1-(2-nitrobutyl)imidazole
CID 4916532
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
1-(3-ethylpentan-2-yl)imidazole
CID 174620112

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-methylbutyl)imidazole?
The IUPAC name of 1-(2-ethyl-3-methylbutyl)imidazole (CID 170019524) is 1-(2-ethyl-3-methylbutyl)imidazole.
What is the SMILES notation for 1-(2-ethyl-3-methylbutyl)imidazole?
The canonical SMILES for 1-(2-ethyl-3-methylbutyl)imidazole is CCC(Cn1ccnc1)C(C)C.
What is the InChIKey of 1-(2-ethyl-3-methylbutyl)imidazole?
The InChIKey is TZYCSQNFRJKMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10(9(2)3)7-12-6-5-11-8-12/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 1-(2-ethyl-3-methylbutyl)imidazole?
1-(2-ethyl-3-methylbutyl)imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methylbutyl)imidazole is sourced from PubChem (CID 170019524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).