7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine

C13H17ClN4 — CID 55097622

IUPAC7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CCN1CCCC1
InChIInChI=1S/C13H17ClN4/c14-10-4-3-5-11-12(10)18(13(15)16-11)9-8-17-6-1-2-7-17/h3-5H,1-2,6-9H2,(H2,15,16)
InChIKeyISEZSUOKUZQWSV-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.37
Rot. Bonds3

About 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine

7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine (PubChem CID 55097622) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
PubChem CID55097622
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CCN1CCCC1
InChIInChI=1S/C13H17ClN4/c14-10-4-3-5-11-12(10)18(13(15)16-11)9-8-17-6-1-2-7-17/h3-5H,1-2,6-9H2,(H2,15,16)
InChIKeyISEZSUOKUZQWSV-UHFFFAOYSA-N
XLogP2.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine (CID 55097622) is 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1CCN1CCCC1.
What is the InChIKey of 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is ISEZSUOKUZQWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c14-10-4-3-5-11-12(10)18(13(15)16-11)9-8-17-6-1-2-7-17/h3-5H,1-2,6-9H2,(H2,15,16).
What are the key properties of 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 264.76 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 55097622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).