carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

C16H11FN4O3 — CID 159576565

IUPACcarbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3ccc(F)cc3o2)nc2ccccc21.O=C=O
InChIInChI=1S/C15H11FN4O.CO2/c1-20-12-5-3-2-4-10(12)17-14(20)19-15-18-11-7-6-9(16)8-13(11)21-15;2-1-3/h2-8H,1H3,(H,17,18,19);
InChIKeyMIMDMKUEARKTCW-UHFFFAOYSA-N
MW326.29 g/mol
LogP3.01
Rot. Bonds2

About carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 159576565) has the molecular formula C16H11FN4O3 and a molecular weight of 326.29 g/mol. Its IUPAC name is carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Namecarbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID159576565
Molecular FormulaC16H11FN4O3
Molecular Weight326.29 g/mol
Exact Mass326.08
IUPAC Namecarbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3ccc(F)cc3o2)nc2ccccc21.O=C=O
InChIInChI=1S/C15H11FN4O.CO2/c1-20-12-5-3-2-4-10(12)17-14(20)19-15-18-11-7-6-9(16)8-13(11)21-15;2-1-3/h2-8H,1H3,(H,17,18,19);
InChIKeyMIMDMKUEARKTCW-UHFFFAOYSA-N
XLogP3.01
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one
CID 920400
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol
CID 171810699
5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
CID 171810679
N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine
CID 20828301
1-[2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]ethanone
CID 159959596
N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 171810701
1-methyl-2-[(6-propan-2-yl-1,3-benzoxazol-2-yl)amino]benzimidazole-5-carbaldehyde
CID 155709095
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carbaldehyde
CID 155709058
carbon dioxide;N-[1-(oxolan-3-ylmethyl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
CID 158516149
2-(1,3-benzoxazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083774
5-[(1Z)-buta-1,3-dienyl]-N-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-1,3-oxazol-2-amine
CID 174371179
carbon dioxide;N-(6-chloro-1H-benzimidazol-2-yl)-1-methylbenzimidazol-2-amine
CID 176544013

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (CID 159576565) is carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is Cn1c(Nc2nc3ccc(F)cc3o2)nc2ccccc21.O=C=O.
What is the InChIKey of carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is MIMDMKUEARKTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O.CO2/c1-20-12-5-3-2-4-10(12)17-14(20)19-15-18-11-7-6-9(16)8-13(11)21-15;2-1-3/h2-8H,1H3,(H,17,18,19);.
What are the key properties of carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 326.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 159576565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).