5,6-dichloro-1-methylbenzimidazole-2-carboxamide

C9H7Cl2N3O — CID 44590869

IUPAC5,6-dichloro-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(N)=O)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H7Cl2N3O/c1-14-7-3-5(11)4(10)2-6(7)13-9(14)8(12)15/h2-3H,1H3,(H2,12,15)
InChIKeyPRVMLKWVIFLPOX-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.98
Rot. Bonds1

About 5,6-dichloro-1-methylbenzimidazole-2-carboxamide

5,6-dichloro-1-methylbenzimidazole-2-carboxamide (PubChem CID 44590869) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 5,6-dichloro-1-methylbenzimidazole-2-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-1-methylbenzimidazole-2-carboxamide
PubChem CID44590869
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name5,6-dichloro-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(N)=O)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H7Cl2N3O/c1-14-7-3-5(11)4(10)2-6(7)13-9(14)8(12)15/h2-3H,1H3,(H2,12,15)
InChIKeyPRVMLKWVIFLPOX-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methylbenzimidazole-2-carboxamide?
The IUPAC name of 5,6-dichloro-1-methylbenzimidazole-2-carboxamide (CID 44590869) is 5,6-dichloro-1-methylbenzimidazole-2-carboxamide.
What is the SMILES notation for 5,6-dichloro-1-methylbenzimidazole-2-carboxamide?
The canonical SMILES for 5,6-dichloro-1-methylbenzimidazole-2-carboxamide is Cn1c(C(N)=O)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-methylbenzimidazole-2-carboxamide?
The InChIKey is PRVMLKWVIFLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c1-14-7-3-5(11)4(10)2-6(7)13-9(14)8(12)15/h2-3H,1H3,(H2,12,15).
What are the key properties of 5,6-dichloro-1-methylbenzimidazole-2-carboxamide?
5,6-dichloro-1-methylbenzimidazole-2-carboxamide has a molecular weight of 244.08 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methylbenzimidazole-2-carboxamide is sourced from PubChem (CID 44590869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).