[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol

C16H13FN4O2 — CID 171810699

IUPAC[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol
SMILESCn1c(Nc2nc3cc(F)ccc3o2)nc2cc(CO)ccc21
InChIInChI=1S/C16H13FN4O2/c1-21-13-4-2-9(8-22)6-11(13)18-15(21)20-16-19-12-7-10(17)3-5-14(12)23-16/h2-7,22H,8H2,1H3,(H,18,19,20)
InChIKeyURPVOVIMLVBMNP-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.09
Rot. Bonds3

About [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol

[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol (PubChem CID 171810699) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol
PubChem CID171810699
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol
SMILESCn1c(Nc2nc3cc(F)ccc3o2)nc2cc(CO)ccc21
InChIInChI=1S/C16H13FN4O2/c1-21-13-4-2-9(8-22)6-11(13)18-15(21)20-16-19-12-7-10(17)3-5-14(12)23-16/h2-7,22H,8H2,1H3,(H,18,19,20)
InChIKeyURPVOVIMLVBMNP-UHFFFAOYSA-N
XLogP3.09
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
CID 171810679
N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 171810701
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133480272
carbon dioxide;6-fluoro-N-(1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
CID 159576565
5-[(1Z)-buta-1,3-dienyl]-N-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-1,3-oxazol-2-amine
CID 174371179
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol
CID 176936372
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
N-(5-fluoro-1,3-benzoxazol-2-yl)-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-benzoxazol-2-amine
CID 176936407
2-(1,3-benzoxazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083774
1-[2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]ethanone
CID 159959596
2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide
CID 155083808
N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide
CID 70957878

Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol?
The IUPAC name of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol (CID 171810699) is [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol.
What is the SMILES notation for [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol?
The canonical SMILES for [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol is Cn1c(Nc2nc3cc(F)ccc3o2)nc2cc(CO)ccc21.
What is the InChIKey of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol?
The InChIKey is URPVOVIMLVBMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-21-13-4-2-9(8-22)6-11(13)18-15(21)20-16-19-12-7-10(17)3-5-14(12)23-16/h2-7,22H,8H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol?
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol has a molecular weight of 312.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol is sourced from PubChem (CID 171810699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).