2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

C8H12N2 — CID 13248792

IUPAC2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H2,1H3,(H,9,10)
InChIKeyXMLUAPAWXDNVTM-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.60
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 13248792) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID13248792
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H2,1H3,(H,9,10)
InChIKeyXMLUAPAWXDNVTM-UHFFFAOYSA-N
XLogP1.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 13248792) is 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is Cc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is XMLUAPAWXDNVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H2,1H3,(H,9,10).
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 13248792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).