[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine

C13H15Cl2N3 — CID 82001526

IUPAC[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H15Cl2N3/c14-9-4-11-12(5-10(9)15)18-13(17-11)8-3-1-2-7(8)6-16/h4-5,7-8H,1-3,6,16H2,(H,17,18)
InChIKeyRBYSJGFEWRISGQ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.71
Rot. Bonds2

About [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine

[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine (PubChem CID 82001526) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine
PubChem CID82001526
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine
SMILESNCC1CCCC1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H15Cl2N3/c14-9-4-11-12(5-10(9)15)18-13(17-11)8-3-1-2-7(8)6-16/h4-5,7-8H,1-3,6,16H2,(H,17,18)
InChIKeyRBYSJGFEWRISGQ-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine (CID 82001526) is [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine is NCC1CCCC1c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
The InChIKey is RBYSJGFEWRISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c14-9-4-11-12(5-10(9)15)18-13(17-11)8-3-1-2-7(8)6-16/h4-5,7-8H,1-3,6,16H2,(H,17,18).
What are the key properties of [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine?
[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine has a molecular weight of 284.19 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 82001526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).