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

C10H13N3O — CID 13174707

IUPAC3-(2-aminopropyl)-1H-benzimidazol-2-one
SMILESCC(N)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H13N3O/c1-7(11)6-13-9-5-3-2-4-8(9)12-10(13)14/h2-5,7H,6,11H2,1H3,(H,12,14)
InChIKeyPDTPKBRSWCTRRJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.68
Rot. Bonds2

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

3-(2-aminopropyl)-1H-benzimidazol-2-one (PubChem CID 13174707) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2-aminopropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-aminopropyl)-1H-benzimidazol-2-one
PubChem CID13174707
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(2-aminopropyl)-1H-benzimidazol-2-one
SMILESCC(N)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H13N3O/c1-7(11)6-13-9-5-3-2-4-8(9)12-10(13)14/h2-5,7H,6,11H2,1H3,(H,12,14)
InChIKeyPDTPKBRSWCTRRJ-UHFFFAOYSA-N
XLogP0.68
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-aminopropyl)-1H-benzimidazol-2-one (CID 13174707) is 3-(2-aminopropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-aminopropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-aminopropyl)-1H-benzimidazol-2-one is CC(N)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(2-aminopropyl)-1H-benzimidazol-2-one?
The InChIKey is PDTPKBRSWCTRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(11)6-13-9-5-3-2-4-8(9)12-10(13)14/h2-5,7H,6,11H2,1H3,(H,12,14).
What are the key properties of 3-(2-aminopropyl)-1H-benzimidazol-2-one?
3-(2-aminopropyl)-1H-benzimidazol-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 13174707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).