2,3-dimethyl-3a,4-dihydrobenzimidazole

C9H12N2 — CID 147769948

IUPAC2,3-dimethyl-3a,4-dihydrobenzimidazole
SMILESCC1=NC2=CC=CCC2N1C
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8)11(7)2/h3-5,9H,6H2,1-2H3
InChIKeyHFSPWMVMUVGMKL-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.56
Rot. Bonds

About 2,3-dimethyl-3a,4-dihydrobenzimidazole

2,3-dimethyl-3a,4-dihydrobenzimidazole (PubChem CID 147769948) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,3-dimethyl-3a,4-dihydrobenzimidazole.

Molecular Properties

Compound Name2,3-dimethyl-3a,4-dihydrobenzimidazole
PubChem CID147769948
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,3-dimethyl-3a,4-dihydrobenzimidazole
SMILESCC1=NC2=CC=CCC2N1C
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8)11(7)2/h3-5,9H,6H2,1-2H3
InChIKeyHFSPWMVMUVGMKL-UHFFFAOYSA-N
XLogP1.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3a,4-dihydrobenzimidazole?
The IUPAC name of 2,3-dimethyl-3a,4-dihydrobenzimidazole (CID 147769948) is 2,3-dimethyl-3a,4-dihydrobenzimidazole.
What is the SMILES notation for 2,3-dimethyl-3a,4-dihydrobenzimidazole?
The canonical SMILES for 2,3-dimethyl-3a,4-dihydrobenzimidazole is CC1=NC2=CC=CCC2N1C.
What is the InChIKey of 2,3-dimethyl-3a,4-dihydrobenzimidazole?
The InChIKey is HFSPWMVMUVGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8)11(7)2/h3-5,9H,6H2,1-2H3.
What are the key properties of 2,3-dimethyl-3a,4-dihydrobenzimidazole?
2,3-dimethyl-3a,4-dihydrobenzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3a,4-dihydrobenzimidazole is sourced from PubChem (CID 147769948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).