6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C12H14N4O — CID 114040605

IUPAC6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESNC1CCCc2[nH]c(-c3cccc(=O)[nH]3)nc21
InChIInChI=1S/C12H14N4O/c13-7-3-1-4-8-11(7)16-12(15-8)9-5-2-6-10(17)14-9/h2,5-7H,1,3-4,13H2,(H,14,17)(H,15,16)
InChIKeyKBOBSTHRXNCIBD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.10
Rot. Bonds1

About 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one

6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 114040605) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID114040605
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESNC1CCCc2[nH]c(-c3cccc(=O)[nH]3)nc21
InChIInChI=1S/C12H14N4O/c13-7-3-1-4-8-11(7)16-12(15-8)9-5-2-6-10(17)14-9/h2,5-7H,1,3-4,13H2,(H,14,17)(H,15,16)
InChIKeyKBOBSTHRXNCIBD-UHFFFAOYSA-N
XLogP1.10
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 114040605) is 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one is NC1CCCc2[nH]c(-c3cccc(=O)[nH]3)nc21.
What is the InChIKey of 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is KBOBSTHRXNCIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-7-3-1-4-8-11(7)16-12(15-8)9-5-2-6-10(17)14-9/h2,5-7H,1,3-4,13H2,(H,14,17)(H,15,16).
What are the key properties of 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 114040605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).