(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole

C8H10N2 — CID 89016466

IUPAC(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=NC2C=CC=C[C@H]2N1
InChIInChI=1S/C8H10N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5,7-8H,1H3,(H,9,10)/t7-,8?/m1/s1
InChIKeyDWAUCDCPMRFFKX-GVHYBUMESA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole

(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 89016466) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID89016466
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=NC2C=CC=C[C@H]2N1
InChIInChI=1S/C8H10N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5,7-8H,1H3,(H,9,10)/t7-,8?/m1/s1
InChIKeyDWAUCDCPMRFFKX-GVHYBUMESA-N
XLogP0.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole (CID 89016466) is (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole is CC1=NC2C=CC=C[C@H]2N1.
What is the InChIKey of (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is DWAUCDCPMRFFKX-GVHYBUMESA-N. The full InChI is InChI=1S/C8H10N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5,7-8H,1H3,(H,9,10)/t7-,8?/m1/s1.
What are the key properties of (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole?
(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 89016466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).