6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one

C13H15ClN2O2 — CID 117207372

IUPAC6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1CC1CCCOC1
InChIInChI=1S/C13H15ClN2O2/c14-10-3-4-12-11(6-10)15-13(17)16(12)7-9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,7-8H2,(H,15,17)
InChIKeyLRUNKDIPMTYHDE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.41
Rot. Bonds2

About 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one

6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 117207372) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
PubChem CID117207372
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1CC1CCCOC1
InChIInChI=1S/C13H15ClN2O2/c14-10-3-4-12-11(6-10)15-13(17)16(12)7-9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,7-8H2,(H,15,17)
InChIKeyLRUNKDIPMTYHDE-UHFFFAOYSA-N
XLogP2.41
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207162
5-hydroxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208125
3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206200
6-chloro-3-(thiolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117207296
7-methoxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206556
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
6-nitro-3-(oxetan-3-ylmethyl)-1H-benzimidazol-2-one
CID 167458392
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491161
6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
CID 21424819
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167928323
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one (CID 117207372) is 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(Cl)ccc2n1CC1CCCOC1.
What is the InChIKey of 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is LRUNKDIPMTYHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-3-4-12-11(6-10)15-13(17)16(12)7-9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,7-8H2,(H,15,17).
What are the key properties of 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one?
6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117207372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).