2-(1-ethoxypropan-2-yl)-1H-benzimidazole

C12H16N2O — CID 20681263

IUPAC2-(1-ethoxypropan-2-yl)-1H-benzimidazole
SMILESCCOCC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2O/c1-3-15-8-9(2)12-13-10-6-4-5-7-11(10)14-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyTTXYDCBHOXOFBF-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.70
Rot. Bonds4

About 2-(1-ethoxypropan-2-yl)-1H-benzimidazole

2-(1-ethoxypropan-2-yl)-1H-benzimidazole (PubChem CID 20681263) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yl)-1H-benzimidazole
PubChem CID20681263
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(1-ethoxypropan-2-yl)-1H-benzimidazole
SMILESCCOCC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N2O/c1-3-15-8-9(2)12-13-10-6-4-5-7-11(10)14-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyTTXYDCBHOXOFBF-UHFFFAOYSA-N
XLogP2.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1H-benzimidazole
CID 22121
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
2-[(2S)-2-(1H-benzimidazol-2-yl)propyl]aniline
CID 29247572
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
CID 151651960
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
bis(1H-benzimidazol-2-yl)methanol
CID 3747179

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-ethoxypropan-2-yl)-1H-benzimidazole (CID 20681263) is 2-(1-ethoxypropan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-ethoxypropan-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-ethoxypropan-2-yl)-1H-benzimidazole is CCOCC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1-ethoxypropan-2-yl)-1H-benzimidazole?
The InChIKey is TTXYDCBHOXOFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-15-8-9(2)12-13-10-6-4-5-7-11(10)14-12/h4-7,9H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-ethoxypropan-2-yl)-1H-benzimidazole?
2-(1-ethoxypropan-2-yl)-1H-benzimidazole has a molecular weight of 204.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 20681263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).