(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole

C10H14N2 — CID 137427543

IUPAC(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole
SMILESCCC1=CC[C@@H]2C(=C1)N=CN2C
InChIInChI=1S/C10H14N2/c1-3-8-4-5-10-9(6-8)11-7-12(10)2/h4,6-7,10H,3,5H2,1-2H3/t10-/m1/s1
InChIKeyIHGCGDGYTKZCAX-SNVBAGLBSA-N
MW162.24 g/mol
LogP1.95
Rot. Bonds1

About (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole

(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole (PubChem CID 137427543) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole.

Molecular Properties

Compound Name(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole
PubChem CID137427543
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole
SMILESCCC1=CC[C@@H]2C(=C1)N=CN2C
InChIInChI=1S/C10H14N2/c1-3-8-4-5-10-9(6-8)11-7-12(10)2/h4,6-7,10H,3,5H2,1-2H3/t10-/m1/s1
InChIKeyIHGCGDGYTKZCAX-SNVBAGLBSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole?
The IUPAC name of (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole (CID 137427543) is (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole.
What is the SMILES notation for (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole?
The canonical SMILES for (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole is CCC1=CC[C@@H]2C(=C1)N=CN2C.
What is the InChIKey of (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole?
The InChIKey is IHGCGDGYTKZCAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-8-4-5-10-9(6-8)11-7-12(10)2/h4,6-7,10H,3,5H2,1-2H3/t10-/m1/s1.
What are the key properties of (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole?
(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole has a molecular weight of 162.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole is sourced from PubChem (CID 137427543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).