(7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole

C9H12N2 — CID 89313775

IUPAC(7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=C[C@@]2(C)N1
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8,2)11-7/h3-6,8H,1-2H3,(H,10,11)/t8?,9-/m1/s1
InChIKeyUBSGMMLFRUINHS-YGPZHTELSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds

About (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole

(7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole (PubChem CID 89313775) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole.

Molecular Properties

Compound Name(7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole
PubChem CID89313775
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=C[C@@]2(C)N1
InChIInChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8,2)11-7/h3-6,8H,1-2H3,(H,10,11)/t8?,9-/m1/s1
InChIKeyUBSGMMLFRUINHS-YGPZHTELSA-N
XLogP1.26
TPSA24.39 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole?
The IUPAC name of (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole (CID 89313775) is (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole.
What is the SMILES notation for (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole?
The canonical SMILES for (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole is CC1=NC2C=CC=C[C@@]2(C)N1.
What is the InChIKey of (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole?
The InChIKey is UBSGMMLFRUINHS-YGPZHTELSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-10-8-5-3-4-6-9(8,2)11-7/h3-6,8H,1-2H3,(H,10,11)/t8?,9-/m1/s1.
What are the key properties of (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole?
(7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2,7a-dimethyl-1,3a-dihydrobenzimidazole is sourced from PubChem (CID 89313775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).