7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine

C13H16ClN3 — CID 43662069

IUPAC7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CC1CCCC1
InChIInChI=1S/C13H16ClN3/c14-10-6-3-7-11-12(10)17(13(15)16-11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,15,16)
InChIKeyVXTOBLAVSXLZFK-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.46
Rot. Bonds2

About 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine

7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine (PubChem CID 43662069) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
PubChem CID43662069
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CC1CCCC1
InChIInChI=1S/C13H16ClN3/c14-10-6-3-7-11-12(10)17(13(15)16-11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,15,16)
InChIKeyVXTOBLAVSXLZFK-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine (CID 43662069) is 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1CC1CCCC1.
What is the InChIKey of 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine?
The InChIKey is VXTOBLAVSXLZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c14-10-6-3-7-11-12(10)17(13(15)16-11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,15,16).
What are the key properties of 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine?
7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine has a molecular weight of 249.74 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(cyclopentylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 43662069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).