(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole

C9H12N2 — CID 134369206

IUPAC(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
SMILESC[C@H]1Nc2ccccc2N1C
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8)11(7)2/h3-7,10H,1-2H3/t7-/m0/s1
InChIKeyVSJKGWNZJOGGMH-ZETCQYMHSA-N
MW148.21 g/mol
LogP1.89
Rot. Bonds

About (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole

(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole (PubChem CID 134369206) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
PubChem CID134369206
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
SMILESC[C@H]1Nc2ccccc2N1C
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8)11(7)2/h3-7,10H,1-2H3/t7-/m0/s1
InChIKeyVSJKGWNZJOGGMH-ZETCQYMHSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole?
The IUPAC name of (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole (CID 134369206) is (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole?
The canonical SMILES for (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole is C[C@H]1Nc2ccccc2N1C.
What is the InChIKey of (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole?
The InChIKey is VSJKGWNZJOGGMH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8)11(7)2/h3-7,10H,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole?
(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 134369206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).