4-(oxolan-3-yl)-1H-benzimidazole

C11H12N2O — CID 59279276

IUPAC4-(oxolan-3-yl)-1H-benzimidazole
SMILESc1cc(C2CCOC2)c2nc[nH]c2c1
InChIInChI=1S/C11H12N2O/c1-2-9(8-4-5-14-6-8)11-10(3-1)12-7-13-11/h1-3,7-8H,4-6H2,(H,12,13)
InChIKeyICTAVYRCBVLDQF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.07
Rot. Bonds1

About 4-(oxolan-3-yl)-1H-benzimidazole

4-(oxolan-3-yl)-1H-benzimidazole (PubChem CID 59279276) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(oxolan-3-yl)-1H-benzimidazole
PubChem CID59279276
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(oxolan-3-yl)-1H-benzimidazole
SMILESc1cc(C2CCOC2)c2nc[nH]c2c1
InChIInChI=1S/C11H12N2O/c1-2-9(8-4-5-14-6-8)11-10(3-1)12-7-13-11/h1-3,7-8H,4-6H2,(H,12,13)
InChIKeyICTAVYRCBVLDQF-UHFFFAOYSA-N
XLogP2.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-3-yl)-1H-indole
CID 146673552
[4-(oxolan-3-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine
CID 105472547
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153
9-(oxolan-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 25012376
2-(oxolan-3-yl)benzoic acid
CID 83830028
ethane;1-methyl-4-(oxolan-3-yl)isoquinoline
CID 177329440
(3R)-3-phenyloxolane
CID 92859476
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
6-fluoro-3-[(3R)-oxolan-3-yl]-1H-indole
CID 124928109
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
2-oxo-2-[2-(oxolan-3-yl)phenyl]acetic acid
CID 117313844
1-(1H-indol-4-ylmethylideneamino)-3-[2-methyl-6-(oxolan-3-yl)phenoxy]propan-2-one
CID 158817436

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-1H-benzimidazole?
The IUPAC name of 4-(oxolan-3-yl)-1H-benzimidazole (CID 59279276) is 4-(oxolan-3-yl)-1H-benzimidazole.
What is the SMILES notation for 4-(oxolan-3-yl)-1H-benzimidazole?
The canonical SMILES for 4-(oxolan-3-yl)-1H-benzimidazole is c1cc(C2CCOC2)c2nc[nH]c2c1.
What is the InChIKey of 4-(oxolan-3-yl)-1H-benzimidazole?
The InChIKey is ICTAVYRCBVLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-9(8-4-5-14-6-8)11-10(3-1)12-7-13-11/h1-3,7-8H,4-6H2,(H,12,13).
What are the key properties of 4-(oxolan-3-yl)-1H-benzimidazole?
4-(oxolan-3-yl)-1H-benzimidazole has a molecular weight of 188.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-1H-benzimidazole is sourced from PubChem (CID 59279276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).