6-methyl-2-(oxolan-3-yl)-1H-benzimidazole

C12H14N2O — CID 61311575

IUPAC6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
SMILESCc1ccc2nc(C3CCOC3)[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-8-2-3-10-11(6-8)14-12(13-10)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyKOUOFZGCRWZEDH-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.38
Rot. Bonds1

About 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole

6-methyl-2-(oxolan-3-yl)-1H-benzimidazole (PubChem CID 61311575) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
PubChem CID61311575
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
SMILESCc1ccc2nc(C3CCOC3)[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-8-2-3-10-11(6-8)14-12(13-10)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyKOUOFZGCRWZEDH-UHFFFAOYSA-N
XLogP2.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole (CID 61311575) is 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole is Cc1ccc2nc(C3CCOC3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole?
The InChIKey is KOUOFZGCRWZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-2-3-10-11(6-8)14-12(13-10)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole?
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole has a molecular weight of 202.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-3-yl)-1H-benzimidazole is sourced from PubChem (CID 61311575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).