azane;2,4-diethyl-1-methylbenzimidazole

C12H19N3 — CID 69090242

IUPACazane;2,4-diethyl-1-methylbenzimidazole
SMILESCCc1cccc2c1nc(CC)n2C.N
InChIInChI=1S/C12H16N2.H3N/c1-4-9-7-6-8-10-12(9)13-11(5-2)14(10)3;/h6-8H,4-5H2,1-3H3;1H3
InChIKeyIQKBHPWNJJNTOA-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.86
Rot. Bonds2

About azane;2,4-diethyl-1-methylbenzimidazole

azane;2,4-diethyl-1-methylbenzimidazole (PubChem CID 69090242) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is azane;2,4-diethyl-1-methylbenzimidazole.

Molecular Properties

Compound Nameazane;2,4-diethyl-1-methylbenzimidazole
PubChem CID69090242
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Nameazane;2,4-diethyl-1-methylbenzimidazole
SMILESCCc1cccc2c1nc(CC)n2C.N
InChIInChI=1S/C12H16N2.H3N/c1-4-9-7-6-8-10-12(9)13-11(5-2)14(10)3;/h6-8H,4-5H2,1-3H3;1H3
InChIKeyIQKBHPWNJJNTOA-UHFFFAOYSA-N
XLogP2.86
TPSA52.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole
CID 118336706
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555
[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721481
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
CID 104721374
1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
CID 83866935
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639
[2-(2-methoxy-2-methylpropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 103022652
azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 69090698
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616

Frequently Asked Questions

What is the IUPAC name of azane;2,4-diethyl-1-methylbenzimidazole?
The IUPAC name of azane;2,4-diethyl-1-methylbenzimidazole (CID 69090242) is azane;2,4-diethyl-1-methylbenzimidazole.
What is the SMILES notation for azane;2,4-diethyl-1-methylbenzimidazole?
The canonical SMILES for azane;2,4-diethyl-1-methylbenzimidazole is CCc1cccc2c1nc(CC)n2C.N.
What is the InChIKey of azane;2,4-diethyl-1-methylbenzimidazole?
The InChIKey is IQKBHPWNJJNTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.H3N/c1-4-9-7-6-8-10-12(9)13-11(5-2)14(10)3;/h6-8H,4-5H2,1-3H3;1H3.
What are the key properties of azane;2,4-diethyl-1-methylbenzimidazole?
azane;2,4-diethyl-1-methylbenzimidazole has a molecular weight of 205.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,4-diethyl-1-methylbenzimidazole is sourced from PubChem (CID 69090242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).