5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole

C12H13Cl2N3 — CID 82005296

IUPAC5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCC1CNCC1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C12H13Cl2N3/c1-6-4-15-5-7(6)12-16-10-2-8(13)9(14)3-11(10)17-12/h2-3,6-7,15H,4-5H2,1H3,(H,16,17)
InChIKeyODLWCBNXJAPPDJ-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.19
Rot. Bonds1

About 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole

5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole (PubChem CID 82005296) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
PubChem CID82005296
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCC1CNCC1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C12H13Cl2N3/c1-6-4-15-5-7(6)12-16-10-2-8(13)9(14)3-11(10)17-12/h2-3,6-7,15H,4-5H2,1H3,(H,16,17)
InChIKeyODLWCBNXJAPPDJ-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole (CID 82005296) is 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole is CC1CNCC1c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
The InChIKey is ODLWCBNXJAPPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-6-4-15-5-7(6)12-16-10-2-8(13)9(14)3-11(10)17-12/h2-3,6-7,15H,4-5H2,1H3,(H,16,17).
What are the key properties of 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole has a molecular weight of 270.16 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 82005296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).