2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole

C12H18N2 — CID 138525825

IUPAC2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
SMILESCCC1=NC2C=CC=CC2N1C(C)C
InChIInChI=1S/C12H18N2/c1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3/h5-11H,4H2,1-3H3
InChIKeyLNNUMEPIOWIQGO-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.38
Rot. Bonds2

About 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole

2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole (PubChem CID 138525825) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
PubChem CID138525825
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
SMILESCCC1=NC2C=CC=CC2N1C(C)C
InChIInChI=1S/C12H18N2/c1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3/h5-11H,4H2,1-3H3
InChIKeyLNNUMEPIOWIQGO-UHFFFAOYSA-N
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole (CID 138525825) is 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole is CCC1=NC2C=CC=CC2N1C(C)C.
What is the InChIKey of 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
The InChIKey is LNNUMEPIOWIQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 138525825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).