2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole

C23H17N5O — CID 122447482

IUPAC2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole
SMILESCCn1cc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc2n1
InChIInChI=1S/C23H17N5O/c1-2-28-13-16-8-7-14(11-20(16)27-28)15-9-10-19-21(12-15)29-23(26-19)22-24-17-5-3-4-6-18(17)25-22/h3-13H,2H2,1H3,(H,24,25)
InChIKeyPUNMXOKGWKWQKQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.41
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole (PubChem CID 122447482) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole
PubChem CID122447482
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole
SMILESCCn1cc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc2n1
InChIInChI=1S/C23H17N5O/c1-2-28-13-16-8-7-14(11-20(16)27-28)15-9-10-19-21(12-15)29-23(26-19)22-24-17-5-3-4-6-18(17)25-22/h3-13H,2H2,1H3,(H,24,25)
InChIKeyPUNMXOKGWKWQKQ-UHFFFAOYSA-N
XLogP5.41
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482405
methyl N-[(1S)-1-[(2S,4S)-2-[6-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491528
6-(1-methylpyrazol-4-yl)-1'-[2-(1-methylpyrazol-3-yl)-3H-benzimidazole-5-carbonyl]spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
CID 136164076
2-[4-[[4-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]phenyl]-1,3-benzoxazole
CID 53307788
4-[[4-cyclopentyloxy-5-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 117881278
US10022387, Example 12
CID 122447522
4-(imidazol-1-ylmethyl)-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]benzamide
CID 137519080
1-[3-(2-methyl-1,3-benzoxazol-6-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044903
(E)-2-(1H-benzimidazol-2-yl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 6146862
N-butyl-4-(1-methylimidazol-2-yl)-N-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 162674241
N-cyclohexyl-5-(1-methylindazol-4-yl)-1,3-benzoxazol-2-amine
CID 45278542
N-cyclohexyl-5-(1-methylindazol-5-yl)-1,3-benzoxazol-2-amine
CID 45279548

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole (CID 122447482) is 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole is CCn1cc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc2n1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
The InChIKey is PUNMXOKGWKWQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-2-28-13-16-8-7-14(11-20(16)27-28)15-9-10-19-21(12-15)29-23(26-19)22-24-17-5-3-4-6-18(17)25-22/h3-13H,2H2,1H3,(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole has a molecular weight of 379.42 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).