4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one

C14H10N4O — CID 146146742

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(-c3cnc4[nH]ccc4c3)c2[nH]1
InChIInChI=1S/C14H10N4O/c19-14-17-11-3-1-2-10(12(11)18-14)9-6-8-4-5-15-13(8)16-7-9/h1-7H,(H,15,16)(H2,17,18,19)
InChIKeyFSEXKWBBWCUDSQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.40
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one

4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 146146742) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID146146742
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(-c3cnc4[nH]ccc4c3)c2[nH]1
InChIInChI=1S/C14H10N4O/c19-14-17-11-3-1-2-10(12(11)18-14)9-6-8-4-5-15-13(8)16-7-9/h1-7H,(H,15,16)(H2,17,18,19)
InChIKeyFSEXKWBBWCUDSQ-UHFFFAOYSA-N
XLogP2.40
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one (CID 146146742) is 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(-c3cnc4[nH]ccc4c3)c2[nH]1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FSEXKWBBWCUDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c19-14-17-11-3-1-2-10(12(11)18-14)9-6-8-4-5-15-13(8)16-7-9/h1-7H,(H,15,16)(H2,17,18,19).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one?
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 250.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 146146742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).