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

C14H8ClN3O — CID 135692693

IUPAC2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H8ClN3O/c15-8-5-6-12-11(7-8)18-14(19-12)13-16-9-3-1-2-4-10(9)17-13/h1-7H,(H,16,17)
InChIKeyYKKAIFHHRXRKFC-UHFFFAOYSA-N
MW269.69 g/mol
LogP4.02
Rot. Bonds1

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

2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole (PubChem CID 135692693) has the molecular formula C14H8ClN3O and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
PubChem CID135692693
Molecular FormulaC14H8ClN3O
Molecular Weight269.69 g/mol
Exact Mass269.04
IUPAC Name2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H8ClN3O/c15-8-5-6-12-11(7-8)18-14(19-12)13-16-9-3-1-2-4-10(9)17-13/h1-7H,(H,16,17)
InChIKeyYKKAIFHHRXRKFC-UHFFFAOYSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole
CID 142421175
2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole
CID 20511918
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 28896820
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole;2,2,2-trifluoroacetic acid
CID 122447497
3-(1H-benzimidazol-2-yl)-6-[(4-chlorophenyl)diazenyl]chromen-2-one
CID 3465479
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
2-[4-[12-[4-(1H-benzimidazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-benzoxazole
CID 157060243
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole
CID 119091936
3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
CID 122447513

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole (CID 135692693) is 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole is Clc1ccc2oc(-c3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole?
The InChIKey is YKKAIFHHRXRKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O/c15-8-5-6-12-11(7-8)18-14(19-12)13-16-9-3-1-2-4-10(9)17-13/h1-7H,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole has a molecular weight of 269.69 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole is sourced from PubChem (CID 135692693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).