2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole

C8H12N2 — CID 22258251

IUPAC2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole
SMILESCC1NC2C=CC=CC2N1
InChIInChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-10H,1H3
InChIKeyWUPWFDLHHOZCDX-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.39
Rot. Bonds

About 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole

2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole (PubChem CID 22258251) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole
PubChem CID22258251
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole
SMILESCC1NC2C=CC=CC2N1
InChIInChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-10H,1H3
InChIKeyWUPWFDLHHOZCDX-UHFFFAOYSA-N
XLogP0.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrobenzimidazole
CID 19001503
2,3,3a,7a-tetrahydro-1H-benzimidazole
CID 21939438
2-Methyltetrahydrobenzimidazole
CID 69589220
5-ethyl-6-fluoro-2,3,3a,7a-tetrahydro-1H-benzimidazole
CID 89120908
5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole
CID 147353320
Hexahydroimidazo[4,5-b]indole
CID 129781951
3-Butyl-1,2,3a,4,7,7a-hexahydrobenzimidazole
CID 20311238
3-Cyclopropyl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479094
3-Butyl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479123
3-Pentyl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479174
3-Propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479185
3-Propyl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479197

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole (CID 22258251) is 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole is CC1NC2C=CC=CC2N1.
What is the InChIKey of 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
The InChIKey is WUPWFDLHHOZCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-10H,1H3.
What are the key properties of 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole has a molecular weight of 136.20 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 22258251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).