4-ethyl-3a,7a-dihydro-1H-benzimidazole

C9H12N2 — CID 91578376

IUPAC4-ethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCCC1=CC=CC2NC=NC12
InChIInChI=1S/C9H12N2/c1-2-7-4-3-5-8-9(7)11-6-10-8/h3-6,8-9H,2H2,1H3,(H,10,11)
InChIKeyWGMLTAWOZXCMFS-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds1

About 4-ethyl-3a,7a-dihydro-1H-benzimidazole

4-ethyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 91578376) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-ethyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name4-ethyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID91578376
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-ethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCCC1=CC=CC2NC=NC12
InChIInChI=1S/C9H12N2/c1-2-7-4-3-5-8-9(7)11-6-10-8/h3-6,8-9H,2H2,1H3,(H,10,11)
InChIKeyWGMLTAWOZXCMFS-UHFFFAOYSA-N
XLogP1.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281240
6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 146992511
5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 149309374
6-fluoro-5-methyl-3a,6,7,7a-tetrahydro-1H-benzimidazole
CID 163582524
3a,4,5,7a-Tetrahydro-1h-benzo[d]imidazole
CID 177256753
4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281241
3a,7a-dihydro-1H-benzimidazole
CID 15762978
5,5a,6,9b-tetrahydro-3H-benzo[e]benzimidazole
CID 18435675
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
6-tert-butyl-3a,7a-dihydro-1H-benzimidazole
CID 59224397
6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 70333893
magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide
CID 88839743

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 4-ethyl-3a,7a-dihydro-1H-benzimidazole (CID 91578376) is 4-ethyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 4-ethyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 4-ethyl-3a,7a-dihydro-1H-benzimidazole is CCC1=CC=CC2NC=NC12.
What is the InChIKey of 4-ethyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is WGMLTAWOZXCMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-4-3-5-8-9(7)11-6-10-8/h3-6,8-9H,2H2,1H3,(H,10,11).
What are the key properties of 4-ethyl-3a,7a-dihydro-1H-benzimidazole?
4-ethyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 91578376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).