5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole

C14H13N3O — CID 146573307

IUPAC5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole
SMILESc1ccc2c(c1)NC(c1ccc3c(c1)NCO3)N2
InChIInChI=1S/C14H13N3O/c1-2-4-11-10(3-1)16-14(17-11)9-5-6-13-12(7-9)15-8-18-13/h1-7,14-17H,8H2
InChIKeyZHQMGWHPIJGDEN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.98
Rot. Bonds1

About 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole

5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole (PubChem CID 146573307) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole
PubChem CID146573307
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole
SMILESc1ccc2c(c1)NC(c1ccc3c(c1)NCO3)N2
InChIInChI=1S/C14H13N3O/c1-2-4-11-10(3-1)16-14(17-11)9-5-6-13-12(7-9)15-8-18-13/h1-7,14-17H,8H2
InChIKeyZHQMGWHPIJGDEN-UHFFFAOYSA-N
XLogP2.98
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 134822157
2,3-dihydro-1,3-benzoxazole;1,3-oxazolidine
CID 146450915
(2S)-2-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 987243
2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 3115659
(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
CID 26435725
4-(2,3-dihydro-1,3-benzoxazol-5-yl)cyclohex-3-en-1-one
CID 91135545
6-(1,3-benzodioxol-5-yl)-7-methyl-5,6-dihydroindolo[1,2-a]quinoxaline
CID 138983738
3-amino-4-(2,3-dihydro-1,3-benzoxazol-5-ylmethyl)cyclobut-3-ene-1,2-dione
CID 87748176
(2S)-2-(1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 1043350
(2S)-3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9007630
6-(2-oxoimidazolidin-4-yl)-4H-1,4-benzoxazin-3-one
CID 116855828
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 25347176

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole (CID 146573307) is 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole is c1ccc2c(c1)NC(c1ccc3c(c1)NCO3)N2.
What is the InChIKey of 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole?
The InChIKey is ZHQMGWHPIJGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-4-11-10(3-1)16-14(17-11)9-5-6-13-12(7-9)15-8-18-13/h1-7,14-17H,8H2.
What are the key properties of 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole?
5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole has a molecular weight of 239.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 146573307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).