2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole

C9H12N2 — CID 166774077

IUPAC2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC=CC2NC(C)=NC12
InChIInChI=1S/C9H12N2/c1-6-4-3-5-8-9(6)11-7(2)10-8/h3-5,8-9H,1-2H3,(H,10,11)
InChIKeyWPUWWZMKJNLKGP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds

About 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole

2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 166774077) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID166774077
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=CC=CC2NC(C)=NC12
InChIInChI=1S/C9H12N2/c1-6-4-3-5-8-9(6)11-7(2)10-8/h3-5,8-9H,1-2H3,(H,10,11)
InChIKeyWPUWWZMKJNLKGP-UHFFFAOYSA-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 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole (CID 166774077) is 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole is CC1=CC=CC2NC(C)=NC12.
What is the InChIKey of 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is WPUWWZMKJNLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-4-3-5-8-9(6)11-7(2)10-8/h3-5,8-9H,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole?
2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole 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 2,4-dimethyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 166774077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).