N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine

C17H15FN4O — CID 133480272

IUPACN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESCc1ccc2c(c1)nc(CNc1nc3cc(F)ccc3o1)n2C
InChIInChI=1S/C17H15FN4O/c1-10-3-5-14-12(7-10)20-16(22(14)2)9-19-17-21-13-8-11(18)4-6-15(13)23-17/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyNEPZFVUNCMYTKY-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.77
Rot. Bonds3

About N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine

N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine (PubChem CID 133480272) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
PubChem CID133480272
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESCc1ccc2c(c1)nc(CNc1nc3cc(F)ccc3o1)n2C
InChIInChI=1S/C17H15FN4O/c1-10-3-5-14-12(7-10)20-16(22(14)2)9-19-17-21-13-8-11(18)4-6-15(13)23-17/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyNEPZFVUNCMYTKY-UHFFFAOYSA-N
XLogP3.77
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
N-ethyl-5-methyl-1,3-benzoxazol-2-amine
CID 15684675
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazol-5-yl]methanol
CID 171810699
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 133480328
5-methyl-N-(2H-triazol-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 95788176
5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
CID 171810679
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526
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]-4-methoxypyrimidin-2-amine
CID 133480310

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine (CID 133480272) is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine is Cc1ccc2c(c1)nc(CNc1nc3cc(F)ccc3o1)n2C.
What is the InChIKey of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is NEPZFVUNCMYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-3-5-14-12(7-10)20-16(22(14)2)9-19-17-21-13-8-11(18)4-6-15(13)23-17/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 310.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133480272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).