5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine

C13H12ClFN4O — CID 106374991

IUPAC5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cc(Cl)c(F)cc32)o1
InChIInChI=1S/C13H12ClFN4O/c1-2-7-5-17-12(20-7)6-19-11-4-9(15)8(14)3-10(11)18-13(19)16/h3-5H,2,6H2,1H3,(H2,16,18)
InChIKeyGIHFWQIXIACQFL-UHFFFAOYSA-N
MW294.72 g/mol
LogP3.01
Rot. Bonds3

About 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine

5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine (PubChem CID 106374991) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
PubChem CID106374991
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cc(Cl)c(F)cc32)o1
InChIInChI=1S/C13H12ClFN4O/c1-2-7-5-17-12(20-7)6-19-11-4-9(15)8(14)3-10(11)18-13(19)16/h3-5H,2,6H2,1H3,(H2,16,18)
InChIKeyGIHFWQIXIACQFL-UHFFFAOYSA-N
XLogP3.01
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106374950
7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375000
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375048
5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine
CID 66076737
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106035619
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
CID 106374976
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine
CID 114943244
2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine (CID 106374991) is 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine is CCc1cnc(Cn2c(N)nc3cc(Cl)c(F)cc32)o1.
What is the InChIKey of 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine?
The InChIKey is GIHFWQIXIACQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c1-2-7-5-17-12(20-7)6-19-11-4-9(15)8(14)3-10(11)18-13(19)16/h3-5H,2,6H2,1H3,(H2,16,18).
What are the key properties of 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine?
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine has a molecular weight of 294.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 106374991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).