5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine

C13H16ClN3O — CID 62086492

IUPAC5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine
SMILESCOC1CCCC1n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O/c1-18-12-4-2-3-11(12)17-10-6-5-8(14)7-9(10)16-13(17)15/h5-7,11-12H,2-4H2,1H3,(H2,15,16)
InChIKeyPZGSKUVYRGCESO-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.01
Rot. Bonds2

About 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine

5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine (PubChem CID 62086492) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine
PubChem CID62086492
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine
SMILESCOC1CCCC1n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3O/c1-18-12-4-2-3-11(12)17-10-6-5-8(14)7-9(10)16-13(17)15/h5-7,11-12H,2-4H2,1H3,(H2,15,16)
InChIKeyPZGSKUVYRGCESO-UHFFFAOYSA-N
XLogP3.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine (CID 62086492) is 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine is COC1CCCC1n1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine?
The InChIKey is PZGSKUVYRGCESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-18-12-4-2-3-11(12)17-10-6-5-8(14)7-9(10)16-13(17)15/h5-7,11-12H,2-4H2,1H3,(H2,15,16).
What are the key properties of 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine?
5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine has a molecular weight of 265.74 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine is sourced from PubChem (CID 62086492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).