2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole

C10H14N2 — CID 137466735

IUPAC2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=CCC2N=C(C)NC2=C1C
InChIInChI=1S/C10H14N2/c1-6-4-5-9-10(7(6)2)12-8(3)11-9/h4,9H,5H2,1-3H3,(H,11,12)
InChIKeyXZBPWAPYHKHWLH-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.00
Rot. Bonds

About 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole

2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole (PubChem CID 137466735) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole
PubChem CID137466735
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=CCC2N=C(C)NC2=C1C
InChIInChI=1S/C10H14N2/c1-6-4-5-9-10(7(6)2)12-8(3)11-9/h4,9H,5H2,1-3H3,(H,11,12)
InChIKeyXZBPWAPYHKHWLH-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole (CID 137466735) is 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole is CC1=CCC2N=C(C)NC2=C1C.
What is the InChIKey of 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is XZBPWAPYHKHWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-6-4-5-9-10(7(6)2)12-8(3)11-9/h4,9H,5H2,1-3H3,(H,11,12).
What are the key properties of 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole?
2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 162.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 137466735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).