1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone

C14H11N3OS — CID 647851

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C14H11N3OS/c18-13(12-6-3-9-19-12)17-8-7-16-11-5-2-1-4-10(11)15-14(16)17/h1-6,9H,7-8H2
InChIKeyUKHQAUKTLNKSQP-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.76
Rot. Bonds1

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone (PubChem CID 647851) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone
PubChem CID647851
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C14H11N3OS/c18-13(12-6-3-9-19-12)17-8-7-16-11-5-2-1-4-10(11)15-14(16)17/h1-6,9H,7-8H2
InChIKeyUKHQAUKTLNKSQP-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone (CID 647851) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone is O=C(c1cccs1)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone?
The InChIKey is UKHQAUKTLNKSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-13(12-6-3-9-19-12)17-8-7-16-11-5-2-1-4-10(11)15-14(16)17/h1-6,9H,7-8H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone has a molecular weight of 269.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 647851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).