3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride

C10H14ClN3O — CID 52983660

IUPAC3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
SMILESCl.NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H13N3O.ClH/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14;/h1-2,4-5H,3,6-7,11H2,(H,12,14);1H
InChIKeyPXEBSVLTKMBNQE-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.10
Rot. Bonds3

About 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride

3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride (PubChem CID 52983660) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
PubChem CID52983660
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
SMILESCl.NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H13N3O.ClH/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14;/h1-2,4-5H,3,6-7,11H2,(H,12,14);1H
InChIKeyPXEBSVLTKMBNQE-UHFFFAOYSA-N
XLogP1.10
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride (CID 52983660) is 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride is Cl.NCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is PXEBSVLTKMBNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.ClH/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14;/h1-2,4-5H,3,6-7,11H2,(H,12,14);1H.
What are the key properties of 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride?
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 227.70 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 52983660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).