5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole

C19H16ClN3O2 — CID 67498577

IUPAC5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole
SMILESClc1ccc2oc(-c3ccc4c(c3)ncn4C3CCOCC3)nc2c1
InChIInChI=1S/C19H16ClN3O2/c20-13-2-4-18-16(10-13)22-19(25-18)12-1-3-17-15(9-12)21-11-23(17)14-5-7-24-8-6-14/h1-4,9-11,14H,5-8H2
InChIKeyAVEWAQDPYVSYFI-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.85
Rot. Bonds2

About 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole

5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole (PubChem CID 67498577) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole
PubChem CID67498577
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole
SMILESClc1ccc2oc(-c3ccc4c(c3)ncn4C3CCOCC3)nc2c1
InChIInChI=1S/C19H16ClN3O2/c20-13-2-4-18-16(10-13)22-19(25-18)12-1-3-17-15(9-12)21-11-23(17)14-5-7-24-8-6-14/h1-4,9-11,14H,5-8H2
InChIKeyAVEWAQDPYVSYFI-UHFFFAOYSA-N
XLogP4.85
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole (CID 67498577) is 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole is Clc1ccc2oc(-c3ccc4c(c3)ncn4C3CCOCC3)nc2c1.
What is the InChIKey of 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole?
The InChIKey is AVEWAQDPYVSYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-13-2-4-18-16(10-13)22-19(25-18)12-1-3-17-15(9-12)21-11-23(17)14-5-7-24-8-6-14/h1-4,9-11,14H,5-8H2.
What are the key properties of 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole?
5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole has a molecular weight of 353.81 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(oxan-4-yl)benzimidazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 67498577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).