1,5-dimethyl-3a,7a-dihydrobenzimidazole

C9H12N2 — CID 130400141

IUPAC1,5-dimethyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC2N=CN(C)C2C=C1
InChIInChI=1S/C9H12N2/c1-7-3-4-9-8(5-7)10-6-11(9)2/h3-6,8-9H,1-2H3
InChIKeyYYFHTEVEJIMAMX-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.21
Rot. Bonds

About 1,5-dimethyl-3a,7a-dihydrobenzimidazole

1,5-dimethyl-3a,7a-dihydrobenzimidazole (PubChem CID 130400141) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,5-dimethyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1,5-dimethyl-3a,7a-dihydrobenzimidazole
PubChem CID130400141
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,5-dimethyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC2N=CN(C)C2C=C1
InChIInChI=1S/C9H12N2/c1-7-3-4-9-8(5-7)10-6-11(9)2/h3-6,8-9H,1-2H3
InChIKeyYYFHTEVEJIMAMX-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1,5-dimethyl-3a,7a-dihydrobenzimidazole (CID 130400141) is 1,5-dimethyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1,5-dimethyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1,5-dimethyl-3a,7a-dihydrobenzimidazole is CC1=CC2N=CN(C)C2C=C1.
What is the InChIKey of 1,5-dimethyl-3a,7a-dihydrobenzimidazole?
The InChIKey is YYFHTEVEJIMAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-4-9-8(5-7)10-6-11(9)2/h3-6,8-9H,1-2H3.
What are the key properties of 1,5-dimethyl-3a,7a-dihydrobenzimidazole?
1,5-dimethyl-3a,7a-dihydrobenzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 130400141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).