2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole

C20H14N4O2 — CID 122447585

IUPAC2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C20H14N4O2/c1-25-14-8-13(10-21-11-14)12-6-7-17-18(9-12)26-20(24-17)19-22-15-4-2-3-5-16(15)23-19/h2-11H,1H3,(H,22,23)
InChIKeyORIXRKYDCVINDN-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.44
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (PubChem CID 122447585) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
PubChem CID122447585
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C20H14N4O2/c1-25-14-8-13(10-21-11-14)12-6-7-17-18(9-12)26-20(24-17)19-22-15-4-2-3-5-16(15)23-19/h2-11H,1H3,(H,22,23)
InChIKeyORIXRKYDCVINDN-UHFFFAOYSA-N
XLogP4.44
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Serabelisib
CID 70798655
Amg 579
CID 59351313
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
N-(2-Methoxyphenyl)-2-(1,3-Oxazol-5-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 66548458
4-(4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 90285039
4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide
CID 117881270
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-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482508
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (CID 122447585) is 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is COc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is ORIXRKYDCVINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-25-14-8-13(10-21-11-14)12-6-7-17-18(9-12)26-20(24-17)19-22-15-4-2-3-5-16(15)23-19/h2-11H,1H3,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 342.36 g/mol, XLogP of 4.44, 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-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 122447585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).