5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one

C14H13BrN4O — CID 84609551

IUPAC5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3nc(Br)n4c3CCCC4)cc2[nH]1
InChIInChI=1S/C14H13BrN4O/c15-13-18-12(11-3-1-2-6-19(11)13)8-4-5-9-10(7-8)17-14(20)16-9/h4-5,7H,1-3,6H2,(H2,16,17,20)
InChIKeyPVYRVZAAKJHHAI-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.82
Rot. Bonds1

About 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one

5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 84609551) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID84609551
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3nc(Br)n4c3CCCC4)cc2[nH]1
InChIInChI=1S/C14H13BrN4O/c15-13-18-12(11-3-1-2-6-19(11)13)8-4-5-9-10(7-8)17-14(20)16-9/h4-5,7H,1-3,6H2,(H2,16,17,20)
InChIKeyPVYRVZAAKJHHAI-UHFFFAOYSA-N
XLogP2.82
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one (CID 84609551) is 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3nc(Br)n4c3CCCC4)cc2[nH]1.
What is the InChIKey of 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PVYRVZAAKJHHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-13-18-12(11-3-1-2-6-19(11)13)8-4-5-9-10(7-8)17-14(20)16-9/h4-5,7H,1-3,6H2,(H2,16,17,20).
What are the key properties of 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one?
5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 333.19 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 84609551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).