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

C13H12Cl2N4O — CID 106374950

IUPAC5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cc(Cl)c(Cl)cc32)o1
InChIInChI=1S/C13H12Cl2N4O/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)
InChIKeyOWQKFLBRBCCQKG-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.52
Rot. Bonds3

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

5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 106374950) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID106374950
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cc(Cl)c(Cl)cc32)o1
InChIInChI=1S/C13H12Cl2N4O/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)
InChIKeyOWQKFLBRBCCQKG-UHFFFAOYSA-N
XLogP3.52
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375000
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
CID 106374976
2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375435
5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375037
5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375048
2-[[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375416
5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81178042
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375479
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (CID 106374950) is 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is CCc1cnc(Cn2c(N)nc3cc(Cl)c(Cl)cc32)o1.
What is the InChIKey of 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is OWQKFLBRBCCQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/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 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 311.17 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106374950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).