3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

C13H12Cl2N2O2 — CID 82000968

IUPAC3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H12Cl2N2O2/c1-13(2)9(10(13)12(18)19)11-16-7-3-5(14)6(15)4-8(7)17-11/h3-4,9-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeySGYIOJYIWYWXHF-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.69
Rot. Bonds2

About 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 82000968) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID82000968
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H12Cl2N2O2/c1-13(2)9(10(13)12(18)19)11-16-7-3-5(14)6(15)4-8(7)17-11/h3-4,9-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeySGYIOJYIWYWXHF-UHFFFAOYSA-N
XLogP3.69
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 82000968) is 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is SGYIOJYIWYWXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-13(2)9(10(13)12(18)19)11-16-7-3-5(14)6(15)4-8(7)17-11/h3-4,9-10H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 299.16 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82000968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).