1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

C20H17FN6O — CID 11646514

IUPAC1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)
InChIKeyASLMIDYEWPPSGH-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.97
Rot. Bonds4

About 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 11646514) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
PubChem CID11646514
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)
InChIKeyASLMIDYEWPPSGH-UHFFFAOYSA-N
XLogP3.97
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.97
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-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 11646514) is 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is ASLMIDYEWPPSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28).
What are the key properties of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 376.40 g/mol, XLogP of 3.97, 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-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11646514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).