5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine

C11H8Cl2N4O — CID 81178042

IUPAC5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2n1Cc1ccon1
InChIInChI=1S/C11H8Cl2N4O/c12-7-3-9-10(4-8(7)13)17(11(14)15-9)5-6-1-2-18-16-6/h1-4H,5H2,(H2,14,15)
InChIKeyOPMVKVPCBMQZDS-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.96
Rot. Bonds2

About 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine

5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine (PubChem CID 81178042) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
PubChem CID81178042
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2n1Cc1ccon1
InChIInChI=1S/C11H8Cl2N4O/c12-7-3-9-10(4-8(7)13)17(11(14)15-9)5-6-1-2-18-16-6/h1-4H,5H2,(H2,14,15)
InChIKeyOPMVKVPCBMQZDS-UHFFFAOYSA-N
XLogP2.96
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine (CID 81178042) is 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccon1.
What is the InChIKey of 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is OPMVKVPCBMQZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-7-3-9-10(4-8(7)13)17(11(14)15-9)5-6-1-2-18-16-6/h1-4H,5H2,(H2,14,15).
What are the key properties of 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 283.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 81178042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).