1,2,3a-trimethyl-4H-benzimidazole

C10H14N2 — CID 163248834

IUPAC1,2,3a-trimethyl-4H-benzimidazole
SMILESCC1=NC2(C)CC=CC=C2N1C
InChIInChI=1S/C10H14N2/c1-8-11-10(2)7-5-4-6-9(10)12(8)3/h4-6H,7H2,1-3H3
InChIKeyYPZAZUTYBXWANS-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.95
Rot. Bonds

About 1,2,3a-trimethyl-4H-benzimidazole

1,2,3a-trimethyl-4H-benzimidazole (PubChem CID 163248834) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,2,3a-trimethyl-4H-benzimidazole.

Molecular Properties

Compound Name1,2,3a-trimethyl-4H-benzimidazole
PubChem CID163248834
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,2,3a-trimethyl-4H-benzimidazole
SMILESCC1=NC2(C)CC=CC=C2N1C
InChIInChI=1S/C10H14N2/c1-8-11-10(2)7-5-4-6-9(10)12(8)3/h4-6H,7H2,1-3H3
InChIKeyYPZAZUTYBXWANS-UHFFFAOYSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
3-ethyl-2-methylidene-3H-imidazo[1,2-a]pyridine
CID 59176763
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708911
3-methyl-2,3,4a,5-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole
CID 68094011
2,3,7a-trimethyl-3aH-benzimidazole
CID 70330879
2,3-dimethyl-8H-imidazo[4,5-i]quinoline
CID 123324154
2,3,5,6,7a-pentamethyl-3aH-benzimidazole
CID 123730557
1-(Cyclohexa-2,4-dien-1-ylmethyl)-3-methyl-5,6-dihydrobenzimidazol-3-ium
CID 123877246
2-Cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole
CID 130242137
2-Ethyl-1-methyl-5,6-dihydrobenzimidazole
CID 134342627
1,2-Dimethyl-5,6-dihydrobenzimidazole
CID 142910084

Frequently Asked Questions

What is the IUPAC name of 1,2,3a-trimethyl-4H-benzimidazole?
The IUPAC name of 1,2,3a-trimethyl-4H-benzimidazole (CID 163248834) is 1,2,3a-trimethyl-4H-benzimidazole.
What is the SMILES notation for 1,2,3a-trimethyl-4H-benzimidazole?
The canonical SMILES for 1,2,3a-trimethyl-4H-benzimidazole is CC1=NC2(C)CC=CC=C2N1C.
What is the InChIKey of 1,2,3a-trimethyl-4H-benzimidazole?
The InChIKey is YPZAZUTYBXWANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-11-10(2)7-5-4-6-9(10)12(8)3/h4-6H,7H2,1-3H3.
What are the key properties of 1,2,3a-trimethyl-4H-benzimidazole?
1,2,3a-trimethyl-4H-benzimidazole has a molecular weight of 162.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a-trimethyl-4H-benzimidazole is sourced from PubChem (CID 163248834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).