3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one

C15H15N3O — CID 171746097

IUPAC3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
SMILESCC(C)c1ccc(-n2c(=O)[nH]c3ccccc32)cn1
InChIInChI=1S/C15H15N3O/c1-10(2)12-8-7-11(9-16-12)18-14-6-4-3-5-13(14)17-15(18)19/h3-10H,1-2H3,(H,17,19)
InChIKeyAXJFUPFISNUSLN-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.84
Rot. Bonds2

About 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one

3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one (PubChem CID 171746097) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
PubChem CID171746097
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
SMILESCC(C)c1ccc(-n2c(=O)[nH]c3ccccc32)cn1
InChIInChI=1S/C15H15N3O/c1-10(2)12-8-7-11(9-16-12)18-14-6-4-3-5-13(14)17-15(18)19/h3-10H,1-2H3,(H,17,19)
InChIKeyAXJFUPFISNUSLN-UHFFFAOYSA-N
XLogP2.84
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one (CID 171746097) is 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one is CC(C)c1ccc(-n2c(=O)[nH]c3ccccc32)cn1.
What is the InChIKey of 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one?
The InChIKey is AXJFUPFISNUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(2)12-8-7-11(9-16-12)18-14-6-4-3-5-13(14)17-15(18)19/h3-10H,1-2H3,(H,17,19).
What are the key properties of 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one?
3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 171746097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).