7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one

C11H11ClN2O2 — CID 117206130

IUPAC7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1C1CCOC1
InChIInChI=1S/C11H11ClN2O2/c12-8-2-1-3-9-10(8)13-11(15)14(9)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,13,15)
InChIKeyMCSXZTFMJAIWDD-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.94
Rot. Bonds1

About 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one

7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one (PubChem CID 117206130) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
PubChem CID117206130
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1C1CCOC1
InChIInChI=1S/C11H11ClN2O2/c12-8-2-1-3-9-10(8)13-11(15)14(9)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,13,15)
InChIKeyMCSXZTFMJAIWDD-UHFFFAOYSA-N
XLogP1.94
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206304
7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206305
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 115541574
3-(oxolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261757
4-chloro-3-(oxolan-3-yl)-1H-benzimidazole-2-thione
CID 80713542
4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117208534
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
6-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207162
4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one
CID 168817897
5-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207901
7-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one
CID 117206419

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one (CID 117206130) is 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one is O=c1[nH]c2c(Cl)cccc2n1C1CCOC1.
What is the InChIKey of 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is MCSXZTFMJAIWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-8-2-1-3-9-10(8)13-11(15)14(9)7-4-5-16-6-7/h1-3,7H,4-6H2,(H,13,15).
What are the key properties of 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 238.67 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).