1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C22H19N7O — CID 71232480

IUPAC1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-c3cn4ccccc4n3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C22H19N7O/c1-2-24-22(30)28-21-26-17-11-15(14-6-5-8-23-12-14)10-16(20(17)27-21)18-13-29-9-4-3-7-19(29)25-18/h3-13H,2H2,1H3,(H3,24,26,27,28,30)
InChIKeyXSEXLNDUYPVKAF-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.08
Rot. Bonds4

About 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 71232480) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID71232480
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-c3cn4ccccc4n3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C22H19N7O/c1-2-24-22(30)28-21-26-17-11-15(14-6-5-8-23-12-14)10-16(20(17)27-21)18-13-29-9-4-3-7-19(29)25-18/h3-13H,2H2,1H3,(H3,24,26,27,28,30)
InChIKeyXSEXLNDUYPVKAF-UHFFFAOYSA-N
XLogP4.08
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 71232480) is 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2c(-c3cn4ccccc4n3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is XSEXLNDUYPVKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-2-24-22(30)28-21-26-17-11-15(14-6-5-8-23-12-14)10-16(20(17)27-21)18-13-29-9-4-3-7-19(29)25-18/h3-13H,2H2,1H3,(H3,24,26,27,28,30).
What are the key properties of 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 397.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 71232480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).