1-butyl-3-methyl-2H-furo[2,3-d]imidazole

C10H16N2O — CID 175228899

IUPAC1-butyl-3-methyl-2H-furo[2,3-d]imidazole
SMILESCCCCN1CN(C)c2occc21
InChIInChI=1S/C10H16N2O/c1-3-4-6-12-8-11(2)10-9(12)5-7-13-10/h5,7H,3-4,6,8H2,1-2H3
InChIKeyNICDYIMRPZSKMK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.29
Rot. Bonds3

About 1-butyl-3-methyl-2H-furo[2,3-d]imidazole

1-butyl-3-methyl-2H-furo[2,3-d]imidazole (PubChem CID 175228899) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-furo[2,3-d]imidazole.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-furo[2,3-d]imidazole
PubChem CID175228899
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-butyl-3-methyl-2H-furo[2,3-d]imidazole
SMILESCCCCN1CN(C)c2occc21
InChIInChI=1S/C10H16N2O/c1-3-4-6-12-8-11(2)10-9(12)5-7-13-10/h5,7H,3-4,6,8H2,1-2H3
InChIKeyNICDYIMRPZSKMK-UHFFFAOYSA-N
XLogP2.29
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-furo[2,3-d]imidazole
CID 58996134
1,3-Dihydrofuro[2,3-d]imidazol-2-one
CID 69288328
5-amino-1-methyl-3H-furo[2,3-d]imidazol-2-one
CID 69288376
1-methyl-3H-furo[2,3-d]imidazol-2-one
CID 69289798
3-Hydroxy-1,2-dihydrofuro[2,3-d]imidazole
CID 69607920
2-N,2-N-dimethylfuran-2,3-diamine
CID 123815457
3-N,3-N-dimethylfuran-2,3-diamine
CID 167037378
3-methyl-1-propyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228766
1-hexadecyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228769
1-ethyl-3-methyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228781
3-methyl-1-tetradecyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228789
3-methyl-1-pentyl-2H-furo[2,3-d]imidazole-2-carboxylic acid
CID 175228823

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-furo[2,3-d]imidazole?
The IUPAC name of 1-butyl-3-methyl-2H-furo[2,3-d]imidazole (CID 175228899) is 1-butyl-3-methyl-2H-furo[2,3-d]imidazole.
What is the SMILES notation for 1-butyl-3-methyl-2H-furo[2,3-d]imidazole?
The canonical SMILES for 1-butyl-3-methyl-2H-furo[2,3-d]imidazole is CCCCN1CN(C)c2occc21.
What is the InChIKey of 1-butyl-3-methyl-2H-furo[2,3-d]imidazole?
The InChIKey is NICDYIMRPZSKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-6-12-8-11(2)10-9(12)5-7-13-10/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of 1-butyl-3-methyl-2H-furo[2,3-d]imidazole?
1-butyl-3-methyl-2H-furo[2,3-d]imidazole has a molecular weight of 180.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-furo[2,3-d]imidazole is sourced from PubChem (CID 175228899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).