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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Related Compounds

6-bromo-2-[(3R)-oxan-3-yl]-1H-benzimidazole
CID 70141450
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile
CID 95469054
2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole
CID 162444244
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
2-(oxan-3-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 55151063
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97328833
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576

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).