1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C20H18N6O — CID 11428309

IUPAC1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H18N6O/c1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H3,22,24,25,26,27)
InChIKeyIXXRRXMYIMRHHE-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.83
Rot. Bonds4

About 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 11428309) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID11428309
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H18N6O/c1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H3,22,24,25,26,27)
InChIKeyIXXRRXMYIMRHHE-UHFFFAOYSA-N
XLogP3.83
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 11428309) is 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is IXXRRXMYIMRHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H3,22,24,25,26,27).
What are the key properties of 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 358.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 11428309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).